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Ghosh, Manas ; Ghosh, Subhasree ; Bhattacharyya, S. P. (2010) Tunneling in 2-D quantum dots via quantum adiabatic switching route Journal of Physics and Chemistry of Solids, 71 (5). pp. 745-751. ISSN 0022-3697

Sarkar, Kanchan ; Sharma, Rahul ; Bhattacharyya, S. P. (2010) Blending determinism with evolutionary computing: applications to the calculation of the molecular electronic structure of polythiophene Journal of Chemical Theory and Computation, 6 (3). pp. 718-726. ISSN 1549-9618

Ghosh, S. ; Maji, K. ; Sharma, R. ; Bhattacharyya, S. P. (2009) On optimal designing of low frequency polychromatic fields for facile photo-dissociation of model diatomic molecules Journal of Chemical Sciences, 121 (5). pp. 757-766. ISSN 0253-4134

Ghosh, S. ; Bhattacharyya, S. P. (2009) Quantum dynamics of a discontinuously kicked charged particle in harmonic, symmetric double, or triple wells International Journal of Quantum Chemistry, 109 (6). pp. 1177-1188. ISSN 0020-7608

Sharma, Rahul ; Saha, Rajendra ; Nandy, Subhajit ; Bhattacharyya, Sankar Prasad ; Chaudhury, Pinaki (2009) Computation of molecular electronic structure by genetic algorithm Materials and Manufacturing Processes, 24 (2). pp. 155-161. ISSN 1042-6914

Hazra, Ram Kuntal ; Ghosh, Manas ; Bhattacharyya, S. P. (2009) Metastable impurity perturbed states of 2D single carrier quantum dots Chemical Physics Letters, 468 (4-6). pp. 216-221. ISSN 0009-2614

Mukhopadhyay, Madhuri ; Mandal, Abhijit ; Misra, Ramprasad ; Banerjee, Debi ; Bhattacharyya, Sankar Prasad ; Mukherjee, Samaresh (2009) Nanopools governing proton transfer in diametrical ways in the ground and excited state Journal of Physical Chemistry B, 113 (2). pp. 567-573. ISSN 1089-5647

Misra, Ramprasad ; Mandal, Abhijit ; Mukhopadhyay, Madhuri ; Maity, D. K. ; Bhattacharyya, S. P. (2009) Spectral signatures of intramolecular charge transfer process in β-enaminones: a combined experimental and theoretical analysis Journal of Physical Chemistry B, 113 (31). pp. 10779-10791. ISSN 1089-5647

Pal, Sougata ; Sharma, Rahul ; Goswami, Biplab ; Sarkar, Pranab ; Bhattacharyya, S. P. (2009) A search for lowest energy structures of ZnS quantum dots: genetic algorithm tight-binding study Journal of Chemical Physics, 130 (21). 214703 _1-214703 _9. ISSN 0021-9606

Ghosh, Manas ; Mandal, Parikshit ; Bhattacharyya, S. P. (2008) Role of effective mass in modulating linear and non-linear response properties of single carrier quantum dots: interplay with system parameters Journal of Physics and Chemistry of Solids, 69 (11). pp. 2864-2876. ISSN 0022-3697

Hazra, Ram Kuntal ; Ghosh, Manas ; Bhattacharyya, S. P. (2008) Information entropy and level-spacing distribution based signatures of quantum chaos in electron doped 2D single carrier quantum dots Chemical Physics Letters, 460 (1-3). pp. 209-215. ISSN 0009-2614

Misra, Ramprasad ; Bhattacharyya, S. P. ; Maity, D. K. (2008) Linear and non-linear optical response properties of β-enamino ketones Chemical Physics Letters, 458 (1-3). pp. 54-57. ISSN 0009-2614

Ghosh, Manas ; Hazra, Ram Kuntal ; Bhattacharyya, S. P. (2008) Response dynamics of 2-D quantum dots in the presence of time-varying fields: anharmonicity and pulse shape effects Chemical Physics, 345 (1). pp. 103-115. ISSN 0301-0104

Ghosh, Manas ; Bhattacharyya, S. P. (2008) Size-dependent linear and non-linear optical response of single carrier two-dimensional quantum dots Journal of Physics and Chemistry of Solids, 69 (4). pp. 981-991. ISSN 0022-3697

Hazra, Ram Kuntal ; Ghosh, Manas ; Bhattacharyya, S. P. (2008) Modulation of the electronic states of 2-D single carrier quantum dots due to presence of hole doped impurity perturbations Chemical Physics, 344 (1-2). pp. 61-71. ISSN 0301-0104

Ghosh, S. ; Bhattacharyya, S. P. (2008) Dissociation of a diatomic molecule induced by discontinuous reversals of a static electric field International Journal of Quantum Chemistry, 108 (7). pp. 1209-1219. ISSN 0020-7608

Mukhopadhyay, M. ; Mandal, A. ; Banerjee, D. ; Bhattacharyya, S. P. ; Mukherjee, S. (2008) Effect of surfactant-perturbed nanocaging on the ground and excited state proton transfer reaction Journal of Physical Chemistry B, 112 (49). pp. 12543-12549. ISSN 1089-5647

Hazra, Ram Kuntal ; Ghosh, Manas ; Bhattacharyya, S. P. (2008) Quantum adiabatic switching route to the impurity modulated states of 2-D quantum dots with different switching functions International Journal of Quantum Chemistry, 108 (4). pp. 719-730. ISSN 0020-7608

Nandy, Subhajit ; Chaudhury, Pinaki ; Sharma, Rahul ; Bhattacharyya, S. P. (2008) A density-matrix-based simulated annealing (SA) technique for locating minimum energy structures on the neutral polythiophene potential energy surface Journal of Theoretical and Computational Chemistry, 7 (5). pp. 977-987. ISSN 0219-6336

Ghosh, Manas ; Sharma, Rahul ; Bhattacharyya, S. P. (2007) Target excitation in 2-D quantum dots by optimized chirped pulses Chemical Physics Letters, 449 (1-3). pp. 165-170. ISSN 0009-2614

Maji, Kaushik ; Mondal, C. K. ; Bhattacharyya, S. P. (2007) Tunnelling time and tunnelling dynamics International Reviews in Physical Chemistry, 26 (4). pp. 647-670. ISSN 0144-235X

Hazra, Ram Kuntal ; Ghosh, Manas ; Bhattacharyya, S. P. (2007) Linear and nonlinear response of 2-D single carrier dots: role of impurity perturbations Chemical Physics, 333 (1). pp. 18-25. ISSN 0301-0104

Ghosh, Manas ; Hazra, Ram Kuntal ; Bhattacharyya, S. P. (2007) Linear and non-linear optical response properties of singlet 2-electron quantum dots Chemical Physics Letters, 434 (1-3). pp. 56-62. ISSN 0009-2614

Riaz, Syed Shahed ; Sharma, Rahul ; Bhattacharyya, S. P. ; Ray, D. S. (2007) Instability and pattern formation in reaction-diffusion systems: a higher order analysis The Journal of Chemical Physics, 127 (6). 064503_1-064503_8. ISSN 0021-9606

Saha, Rajendra ; Bhattacharyya, S. P. (2007) On directly solving schrödinger equation for H₂⁺ ion by genetic algorithm International Journal of Modern Physics C, 18 (2). pp. 163-175. ISSN 0129-1831

Ghosh, Manas ; Hazra, Kuntal Ram ; Bhattacharyya, S. P. (2007) Response properties of 2-electron 2-D quantum dots: triplet versus singlet Computing Letters, 3 (2-4). pp. 183-191. ISSN 1574-0404

Maji, Kaushik ; Bhattacharyya, S. P. (2006) Tunneling dynamics in a perturbed triple-well potential: enhancement versus quenching of tunneling Chemical Physics Letters, 424 (1-3). pp. 218-224. ISSN 0009-2614

Sharma, Rahul ; Nandy, Subbajit ; Bhattacharyya, S. P. (2006) On solving energy-dependent partitioned eigenvalue problem by genetic algorithm: the case of real symmetric Hamiltonian matrices Pramana - Journal of Physics, 66 (6). pp. 1125-1130. ISSN 0304-4289

Ghosh, Manas ; Hazra, Ram Kuntal ; Bhattacharyya, S. P. (2006) Response of energy levels and wavefunctions of 2-D artificial atoms to changes in parameters in the hamiltonian Journal of Theoretical and Computational Chemistry, 5 (1). pp. 25-42. ISSN 0219-6336

Ghosh, Manas ; Hazra, Ram Kuntal ; Bhattacharyya, S. P. (2005) Maximizing second hyperpolarizability of single carrier 2D quantum dots: interplay of strengths of confining potential, magnetic field and anharmonicity Chemical Physics Letters, 405 (4-6). pp. 410-415. ISSN 0009-2614

Maji, Kaushik ; Bhattacharyya, S. P. (2005) The photodetachment dynamics of Cl₂^- in mono and bichromatic fields: analysis based on a multistate mean field approach Chemical Physics Letters, 403 (4-6). pp. 347-352. ISSN 0009-2614

Maji, Kaushik ; Bhattacharyya, S. P. (2005) Quantum dynamics of a system of coupled nonlinear oscillators: spectral and information entropy-based analysis International Journal of Quantum Chemistry, 105 (2). pp. 101-107. ISSN 0020-7608

Maji, Kaushik ; Bhattacharyya, S. P. (2005) Quantum dynamics of relaxation of a pair of coupled Morse oscillators: effects of mass and electrical asymmetries International Journal of Quantum Chemistry, 104 (6). pp. 894-902. ISSN 0020-7608

Ghosh, Manas ; Hazra, Ram Kuntal ; Bhattacharyya, S. P. (2004) Non-linear optical response of single carrier 2-D anharmonic quantum dots Chemical Physics Letters, 397 (1-3). pp. 258-264. ISSN 0009-2614

Nandy, Subhajit ; Chaudhury, Pinaki ; Bhattacharyya, S. P. (2004) Diagonalization of a real-symmetric Hamiltonian by genetic algorithm: a recipe based on minimization of Rayleigh quotient Proceedings of the Indian Academy of Sciences - Chemical Sciences, 116 (5). pp. 285-291. ISSN 0253-4134

Mondal, Chandan Kumar ; Das, K. K. ; Maji, K. ; Bhattacharyya, S. P. (2004) Photoionization dynamics from Cl₂^-: a one-electron model Chemical Physics Letters, 394 (1-3). pp. 215-219. ISSN 0009-2614

Banerjee, D. ; Koll, A. ; Filarowski, A. ; Bhattacharyya, S. P. ; Mukherjee, S. (2004) Interaction between methyl glyoxal and ascorbic acid: experimental and theoretical aspects Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 60 (7). pp. 1523-1526. ISSN 1386-1425

Ghosh, Manas ; Hazra, Ram Kuntal ; Bhattacharyya, S. P. (2004) A linear variational route to the polarizability of 2-D artificial atoms: effects of anharmonicity in the confinement potential Chemical Physics Letters, 388 (4-6). pp. 337-341. ISSN 0009-2614

Saha, Rajendra ; Bhattacharyya, S. P. (2004) On solving Schrodinger equation for the ground state of a two-electron atom using genetic algorithm Current Science, 86 (7). pp. 960-963. ISSN 0011-3891

Maji, Kaushik ; Bhattacharyya, S. P. (2004) A time-dependent Fourier grid Hamiltonian-based formulation of time-dependent multi-configuration Hartree method Pramana - Journal of Physics, 62 (4). pp. 983-991. ISSN 0304-4289

Mandal, K. ; Kar, T. ; Nandi, P. K. ; Bhattacharyya, S. P. (2003) Theoretical study of the nonlinear polarizabilities in H₂N and NO₂ substituted chromophores containing two hetero aromatic rings Chemical Physics Letters, 376 (1-2). pp. 116-124. ISSN 0009-2614

Saha, Rajendra ; Bhattacharyya, S. P. ; Taylor, Christopher D. ; Zhao, Yong ; Cundari, Thomas R. (2003) Direct solution of the Schrodinger equation by a parallel genetic algorithm: cases of an exactly solvable 2-D interacting oscillator and the hydrogen atom International Journal of Quantum Chemistry, 94 (5). pp. 243-250. ISSN 0020-7608

Chaudhury, Pinaki ; Bhattacharyya, S. P. (2003) Evolution of defect states in doped polythiophene: a study based on the method of simulated annealing International Journal of Quantum Chemistry, 91 (6). pp. 663-674. ISSN 0020-7608

Mandal, A. ; Mitra, S. ; Banerjee, D. ; Bhattacharyya, S. P. ; Mukherjee, S. (2003) Experimental and theoretical aspects of proton transfer in 3-methyl-6-hydroxy-m-phthalic acid Journal of Chemical Physics, 118 (7). 3154 _1-3154 _7. ISSN 0021-9606

Mondal, Chandan Kumar ; Maji, Kaushik ; Bhattacharyya, S. P. (2003) Simple approach to computing tunneling time: test cases International Journal of Quantum Chemistry, 94 (2). pp. 57-64. ISSN 0020-7608

Khan, P. ; Bhattacharyya, S. P. (2003) A constrained variational route to Pauling's electronegativity values Journal of the Indian Chemical Society, 80 (5). pp. 521-525. ISSN 0019-4522

Nandy, Subhajit ; Chaudhury, Pinaki ; Bhattacharyya, S. P. (2002) Stochastic diagonalization of Hamiltonian: a genetic algorithm-based approach International Journal of Quantum Chemistry, 90 (1). pp. 188-194. ISSN 0020-7608

Modal, Chandan Kumar ; Bhattacharyya, S. P. (2002) Time-dependent fourier grid Hamiltonian method for studying the curve crossing dynamics: dynamics of predissociation of NaI International Journal of Quantum Chemistry, 88 (3). pp. 310-316. ISSN 0020-7608

Saha, Rajendra ; Chaudhury, Pinaki ; Bhattacharyya, S. P. (2001) Direct solution of Schrodinger equation by genetic algorithm: test cases Physics Letters A, 291 (6). pp. 397-406. ISSN 0375-9601

Mondal, Chandan Kumar ; Maji, Kaushik ; Bhattacharyya, S. P. (2001) On the eigenvalues and dynamics of non-Hermitian PT symmetric Hamiltonians in finite basis spaces Physics Letters A, 291 (4-5). pp. 203-207. ISSN 0375-9601

Mondal, Chandan Kumar ; Bhattacharyya, S. P. (2001) Dynamic hysteresis in microscopic systems with static and fluctuating barriers: the pattern of zero and non-zero temperature responses Physics Letters A, 286 (2-3). pp. 167-174. ISSN 0375-9601

Nandi, P. K. ; Chattopadhyay, T. ; Bhattacharyya, S. P. (2001) Theoretical study of solvent modulation of the first hyperpolarizability of PNA, DNBT and DCH Journal of Molecular Structure: Theochem, 545 (1-3). pp. 119-129. ISSN 0166-1280

Roy, J. ; Ghosh, Sanjib ; Bhattacharyya, S. P. (2001) Characterization of an unusual specific interaction between aromatic cyclic cis-vicinal triketones and cyclic saturated ethers Journal of Molecular Structure: Theochem, 535 (1-3). pp. 71-79. ISSN 0166-1280

Mondal, Chandan Kumar ; Bhattacharyya, S. P. (2001) Quantum hysteresis loops in microscopic system: the loop area as a dynamical parameter Pramana - Journal of Physics, 56 (1). pp. 117-126. ISSN 0304-4289

Mondal, Chandan Kumar ; Bhattacharyya, S. P. (2001) Quantum hysteresis loops in coupled two-dimensional microscopic systems: loop area and energy dissipation International Journal of Quantum Chemistry, 83 (1). pp. 11-21. ISSN 0020-7608

Chaudhury, Pinaki ; Bhattacharyya, S. P. ; Quapp, W. (2000) A genetic algorithm based technique for locating first-order saddle point using a gradient dominated recipe Chemical Physics, 253 (2-3). pp. 295-303. ISSN 0301-0104

Mondal, Chandan Kumar ; Bhattacharyya, S. P. (2000) Photodetachment dynamics of closed-shell anions: effects of perturbation by a strong neighboring dipole International Journal of Quantum Chemistry, 79 (3). pp. 178-189. ISSN 0020-7608

Chaudhury, Pinaki ; Bhattacharyya, S. P. (2000) Stochastic construction of reaction paths: a genetic algorithm-based approach International Journal of Quantum Chemistry, 76 (2). pp. 161-168. ISSN 0020-7608

Mondal, Chandan Kumar ; Chaudhury, Pinaki ; Bhattacharyya, S. P. (1999) Photo-dissociation dynamics of a diatomic molecule: modelling of thermal and environmental effects Chemical Physics Letters, 311 (5). pp. 400-406. ISSN 0009-2614

Chaudhury, Pinaki ; Bhattacharyya, S. P. (1999) Locating critical points on multi-dimensional surfaces by genetic algorithm: test cases including normal and perturbed argon clusters Chemical Physics, 241 (3). pp. 313-325. ISSN 0301-0104

Chaudhury, Pinaki ; Bhattacharyya, S. P. (1999) Bound states in screened and bare Coulomb potentials: a nonorthogonal Cl-based route to effective Hamiltonians for two-electron systems International Journal of Quantum Chemistry, 74 (2). pp. 153-161. ISSN 0020-7608

Chaudhury, P. ; Bhattacharyya, S. P. (1999) Locating critical points and identifying fragmentation channels in noble gas clusters by genetic algorithm Indian Journal of Physics B and Proceedings of the Indian Association for the Cultivation of Science B, 73 (2). pp. 191-201. ISSN 0252-9254

Mondal, Chandan Kumar ; Chaudhury, Pinaki ; Bhattacharyya, S. P. (1999) Modeling quantum dynamics of photodetachment from closed-shell anions: static versus fluctuating well-depth models International Journal of Quantum Chemistry, 73 (6). pp. 469-478. ISSN 0020-7608

Nandi, P. K. ; Das, K. K. ; Bhattacharyya, S. P. (1999) Solvent modulation of ground and excited state properties of 5-dimethyl amino 5'-nitro-2,2'-bithiophene (DNBT): a case study within the framework of a scaled self consistent reaction field method Journal of Molecular Structure: Theochem, 466 (1-3). pp. 155-164. ISSN 0166-1280

Chaudhury, Pinaki ; Bhattacharyya, S. P. (1998) Numerical solutions of the Schrodinger equation directly or perturbatively by a genetic algorithm: test cases Chemical Physics Letters, 296 (1-2). pp. 51-60. ISSN 0009-2614

Chaudhury, Pinaki ; Bhattacharyya, S. P. (1998) A simulated annealing based technique for locating first-order saddle points on multidimensional surfaces and constructing reaction paths: several model studies Journal of Molecular Structure: Theochem, 429 . pp. 175-186. ISSN 0166-1280

Sarkar, Pranab ; Bhattacharyya, S. P. (1998) Noise induced tunneling suppression of a metastable quantum system driven by an oscillating field: a numerical experiment Physics Letters A, 238 (2-3). pp. 141-146. ISSN 0375-9601

Sarkar, Pranab ; Bhattacharyya, S. P. (1998) Quantum dynamics of a time-dependent multidimensional non-linear oscillator and modelling of ultrafast intensity oscillations in charge transfer spectra Journal of Molecular Structure: Theochem, 422 (1-3). pp. 99-108. ISSN 0166-1280

Sarkar, Pranab ; Bhattacharyya, S. P. (1998) Adiabatic evolution of eigenspectra of model 1-D and 2-D Hamiltonians: quantum adiabatic switching algorithm in a time-independent fourier grid Hamiltonian framework International Journal of Quantum Chemistry, 67 (3). pp. 133-141. ISSN 0020-7608

Medhi, Chitrani ; Bhattacharyya, S. P. (1998) Macroscopic solvent polarization-induced reorganization of the electron density in different excited states: a study on formaldehyde molecule by a multiconfiguration self-consistent reaction-field method International Journal of Quantum Chemistry, 70 (3). pp. 415-428. ISSN 0020-7608

Giri, D. ; Kundu, K. ; Majumdar, D. ; Bhattacharyya, S. P. (1997) Possibility of polaronic structure in polyaniline lattice: a semiempirical quantum chemical approach Journal of Molecular Structure: Theochem, 417 (1-2). pp. 175-185. ISSN 0166-1280

Roy, J. ; Bhattacharya, S. ; Ghosh, Sanjib ; Majumder, D. ; Bhattacharyya, S. P. (1997) Investigation of anhydrous benz (f) ninhydrin, indanetrione and 5-methoxy indanetrione by electronic absorption and emission spectroscopy and computational chemistry methods Chemical Physics, 222 (2-3). pp. 161-173. ISSN 0301-0104

Sarkar, Pranab ; Adhikari, Satrajit ; Bhattacharyya, S. P. (1997) A quantal entropy signature for the dynamics of pure states: studies on some model problems Chemical Physics, 215 (3). pp. 309-318. ISSN 0301-0104

Medhi, C. ; Bhattacharyya, S. P. (1997) Transcription of the results of quantum chemical calculations in terms of the classical notion of molecular structures: the cases of some small carbonyls in the ground and excited states Proceedings of the Indian Academy of Sciences - Chemical Sciences, 109 (1). pp. 61-70. ISSN 0253-4134

Adhikari, S. ; Bhattacharyya, S. P. (1997) A fast iterative route to the optimal angle of rotation in the complex coordinate rotation method: some model applications Chemical Physics Letters, 265 (1-2). pp. 99-104. ISSN 0009-2614

Mitra, S. ; Das, R. ; Bhattacharyya, S. P. ; Mukherjee, S. (1997) Energetic and dynamic aspects of intramolecular proton transfer in 4-methyl-2,6-diformylphenol: a detailed analysis with AM1 potential energy surfaces Journal of Physical Chemistry A, 101 (3). pp. 293-298. ISSN 1089-5639

Sarkar, Pranab ; Bhattacharyya, S. P. (1997) On the dynamics of a linear and a nonlinear quantum oscillator with randomly changing harmonic frequency International Journal of Quantum Chemistry, 62 (3). pp. 265-272. ISSN 0020-7608

Sarkar, Pranab ; Bhattacharyya, S. P. (1997) Tunneling dynamics of one- and two-dimensional cubic oscillators with randomly fluctuating harmonic force constants: a numerical experiment International Journal of Quantum Chemistry, 64 (4). pp. 403-409. ISSN 0020-7608

Chaudhury, Pinaki ; Bandyopadhyay, Pradipta ; Bhattacharyya, S. P. (1996) Exploring a discretized generator coordinate route to approximate eigenstates of one- and two-dimensional anharmonic oscillators within the framework of the simulated annealing method Chemical Physics Letters, 262 (6). pp. 764-770. ISSN 0009-2614

Maity, D. K. ; Bhattacharyya, S. P. (1996) On the characterization of reaction paths by local descriptors: the behaviour of active BO sum and local information entropy along reaction paths and some consequences Journal of Molecular Structure: Theochem, 367 . pp. 59-66. ISSN 0166-1280

Bandyopadhyay, D. P. ; Majumdar, D. ; Bhattacharyya, S. P. ; Das, K. K. (1996) On the ground and excited state molecular electronic structures and properties of benzanilide and its tautomer and their solvent dielectric modulations Journal of Molecular Structure: Theochem, 367 . pp. 127-138. ISSN 0166-1280

Sarkar, Pranab ; Bhattacharyya, S. P. (1996) Intense radiation induced dissociation dynamics of a model diatomic molecule with randomly varying binding energy Chemical Physics Letters, 256 (4-5). pp. 490-496. ISSN 0009-2614

Adhikari, S. ; Dutta, P. ; Bhattacharyya, S. P. (1996) Adiabatic switching in time-dependent fourier grid Hamiltonian method: some test cases Chemical Physics, 206 (3). pp. 315-324. ISSN 0301-0104

Chaudhury, P. ; Dutta, P. ; Bandyopadhyay, P. ; Sarkar, P. ; Bhattacharyya, S. P. (1996) A random walk to local minima and saddle points on a potential energy surface. A strategy based on simulated annealing Chemical Physics Letters, 250 (2). pp. 238-246. ISSN 0009-2614

Adhikari, S. ; Dutta, P. ; Bhattacharyya, S. P. (1996) Dynamics of vibrationally assisted tunnelling in model multidimensional systems. Three routes involving the Fourier grid Hamiltonian method Journal of Molecular Structure: Theochem, 361 (1-3). pp. 93-100. ISSN 0166-1280

Adhikari, S. ; Bhattacharyya, S. P. ; Dutta, P. (1996) Stability of localized quantum states on the top of a barrier and some of its consequences: the specific case of a symmetric double well potential Chemical Physics Letters, 248 (3-4). pp. 218-222. ISSN 0009-2614

Adhikari, S. ; Dutta, P. ; Bhattacharyya, S. P. (1996) Applications of a local grid method for modeling chemical dynamics at a mean-field level International Journal of Quantum Chemistry, 59 (2). pp. 109-117. ISSN 0020-7608

Adhikari, S. ; Nath, D. N. ; Bhattacharyya, S. P. (1996) Generalized rabi oscillations in a three-level metastable system under periodic and quasiperiodic perturbations International Journal of Quantum Chemistry, 58 (1). pp. 3-10. ISSN 0020-7608

Maity, D. K. ; Majumdar, D. ; Bhattacharyya, S. P. (1995) On the usefulness of quantum chemical bond order as a local reaction path indicator: the case study of a model carbonyl addition reaction Current Science, 69 (4). pp. 343-351. ISSN 0011-3891

Sarkar, Pranab ; Bhattacharyya, S. P. (1995) Bound state population and dissociation dynamics of a Morse oscillator with oscillating well-depth and driven by intense radiation: perturbative and numerical studies Pramana - Journal of Physics, 45 (1). pp. 47-63. ISSN 0304-4289

Sarkar, Pranab ; Bhattacharyya, S. P. (1995) The effects of static quartic anharmonicity on the quantum dynamics of a linear oscillator with time-dependent harmonic frequency: perturbative analysis and numerical calculations International Journal of Quantum Chemistry, 54 (6). pp. 337-349. ISSN 0020-7608

Maity, D. K. ; Majumdar, D. K. ; Bhattacharyya, S. P. (1995) Quantum chemical bond order as a local descriptor for modelling reaction paths Journal of Molecular Structure: Theochem, 332 (1-2). pp. 1-20. ISSN 0166-1280

Dutta, P. ; Bhattacharyya, S. P. (1995) On the accuracy of wavefunctions obtained by the fourier grid Hamiltonian method Pramana - Journal of Physics, 44 (2). pp. 109-119. ISSN 0304-4289

Sarkar, Pranab ; Adhikari, Satrajit ; Bhattacharyya, S. P. (1994) The dynamics of a harmonic oscillator with time-dependent force constant and perturbed by weak quartic anharmonicity Chemical Physics Letters, 227 (1-2). pp. 187-193. ISSN 0009-2614

Dutta, P. ; Bhattacharyya, S. P. (1994) On exact calculation of response properties of oscillators in static electric field: a fourier grid Hamiltonian approach. I. One-dimensional systems International Journal of Quantum Chemistry, 51 (5). pp. 293-305. ISSN 0020-7608

Dutta, P. ; Bhattacharyya, K. ; Bhattacharyya, S. P. (1994) A linear least-squares variational recipe for the calculation of approximate energy eigenstates Chemical Physics Letters, 226 (1-2). pp. 73-81. ISSN 0009-2614

Adhikari, Satrajit ; Bhattacharyya, S. P. (1994) Time-dependent Fourier grid Hamiltonian method for modelling real-time quantum dynamics: theoretical models and applications Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (2). pp. 553-568. ISSN 0253-4134

Dutta, P. ; Adhikari, S. ; Bhattacharyya, S. P. (1993) Fourier grid Hamiltonian method for bound states of multidimensional systems. Formulation and preliminary applications to model systems Chemical Physics Letters, 212 (6). pp. 677-684. ISSN 0009-2614

Adhikari, S. ; Bhattacharyya, S. P. ; Bhattacharyya, D. M. (1993) Decay dynamics of a metastable state in a time-varying electric field: a three-level prototypical system International Journal of Quantum Chemistry, 47 (3). pp. 213-223. ISSN 0020-7608

Majumdar, D. ; Sen, R. ; Bhattacharyya, K. ; Bhattacharyya, S. P. (1993) On the twisted intramolecular charge transfer emission from the first excited state of p-(N,N-dimethylamino)benzonitrile Journal of Photochemistry and Photobiology A: Chemistry, 73 (3). pp. 177-178. ISSN 1010-6030

Sen, R. ; Majumdar, D. ; Bhattacharyya, S. P. ; Bhattacharyya, S. N. (1993) Modeling hyperpolarizabilities of some TICT molecules and their analogs Journal of Physical Chemistry, 97 (29). pp. 7491-7498. ISSN 0022-3654

Medhi, Chitrani ; Bhattacharyya, S. P. (1993) Basicity of some proto-typical carbonyls in the ground and some low lying excited states: application of the orthogonal gradient method of orbital optimization in an INDO-MC-SCF framework-I Proceedings of the Indian Academy of Sciences - Chemical Sciences, 105 (3). pp. 195-208. ISSN 0253-4134

Medhi, C. ; Bhattacharyya, S. P. ; Das, K. K. (1993) Handling of intrinsic divergence in the orthogonal gradient method of orbital optimization in an MC-SCF framework and geometry optimization in pathological cases: I (propynal in excited states) Pramana - Journal of Physics, 40 (1). pp. 65-74. ISSN 0304-4289

Adhikari, S. ; Bhattacharyya, S. P. (1992) Dissociation dynamics of a model diatomic species in an intense pulsed laser field: a time dependent fourier grid Hamiltonian approach Physics Letters A, 172 (3). pp. 155-161. ISSN 0375-9601

Maity, D. K. ; Majumdar, D. ; Bhattacharyya, S. P. (1992) Modelling of reaction paths from bond-order profiles: a local versus global description of A-B-C → B-C-A photoisomerization Journal of Molecular Structure: Theochem, 276 . pp. 315-325. ISSN 0166-1280

Adhikari, S. ; Dutta, P. ; Bhattacharyya, S. P. (1992) A time-dependent fourier grid Hamiltonian method. Formulation and application to the multiphoton dissociation of a diatomic molecule in intense laser field Chemical Physics Letters, 199 (6). pp. 574-579. ISSN 0009-2614

Dutta, P. ; Bhattacharyya, S. P. (1992) The MC SCF problem and simulated annealing strategy of global minimization Chemical Physics Letters, 199 (1-2). pp. 169-175. ISSN 0009-2614

Majumdar, D. ; Bhattacharyya, S. P. ; Maity, D. K. (1992) Local Hammond postulate and a local model for monitoring reaction paths International Journal of Quantum Chemistry, 43 (4). pp. 567-572. ISSN 0020-7608

Dutta, P. ; Bhattacharyya, S. P. (1992) Localized quantum states on and above the top of a barrier Physics Letters A, 163 (3). pp. 193-198. ISSN 0375-9601

Sen, R. ; Majumdar, D. ; Bhattacharyya, S. P. (1992) Solvent modulation of the first hyperpolarizability of DMABN: an approximate theoretical analysis Chemical Physics Letters, 190 (5). pp. 443-446. ISSN 0009-2614

Dutta, P. ; Bhattacharyya, S. P. (1991) Simultaneous optimization of linear and non-linear parameters of a trial wavefunction: the efficacy of the method of simulated annealing Chemical Physics Letters, 184 (4). pp. 330-334. ISSN 0009-2614

Dutta, P. ; Majumdar, D. ; Bhattacharyya, S. P. (1991) Global optimization of molecular geometry: a new avenue involving the use of metropolis simulated annealing Chemical Physics Letters, 181 (4). pp. 293-297. ISSN 0009-2614

Majumdar, Devashis ; Sen, Rana ; Bhattacharyya, Kankan ; Bhattacharyya, Sankar Prasad (1991) Twisted intramolecular charge transfer of p-(N,N-dimethylamino)benzonitrile: an approximate quantum mechanical study including solvation effects Journal of Physical Chemistry, 95 (11). pp. 4324-4329. ISSN 0022-3654

Dutta, Priyatosh ; Bhattacharyya, S. P. (1990) A new strategy for the calculation of configuration interaction wavefunctions: direct search involving Metropolis simulated annealing Physics Letters A, 148 (6-7). pp. 331-337. ISSN 0375-9601

Khan, P. ; Das, K. K. ; Bhattacharyya, S. P. (1990) On the connection between semiempirical molecular orbital theories and effective hamiltonians: a constrained variational point of view International Journal of Quantum Chemistry, 37 (4). pp. 415-422. ISSN 0020-7608

Maity, D. K. ; Bhattacharyya, S. P. (1990) The behavior of quantum chemical bond order in the vicinity of a saddle point on the reaction path Journal of The American Chemical Society, 112 (8). pp. 3223-3225. ISSN 0002-7863

Dutta, Priyatosh ; Bhattacharyya, S. P. (1990) Orthogonality-constrained variational calculation of excited state wavefunctions and energies. A new strategy based on the method of simulated annealing Chemical Physics Letters, 167 (4). pp. 309-314. ISSN 0009-2614

Dutta, Priyatosh ; Bhattacharyya, S. P. (1990) Orthogonality constrained general variational calculation of excited state wavefunctions and energies: a new strategy Pramana - Journal of Physics, 34 (1). pp. 13-21. ISSN 0304-4289

Sarkar, Biplab ; Bhattacharyya, Kamal ; Bhattacharyya, S. P. (1989) Forcing of convergence in pathological self-consistent-field calculations: a Pade-(MC)SCF strategy Chemical Physics Letters, 162 (1-2). pp. 61-66. ISSN 0009-2614

Dutta, Priyatosh ; Bhattacharyya, S. P. (1989) Orthogonality-constrained variational calculation of excited state wavefunctions and energies: a penalised-functional-based strategy Chemical Physics Letters, 162 (1-2). pp. 67-72. ISSN 0009-2614

Maity, D. K. ; Das, K. K. ; Bhattacharyya, S. P. (1989) On the usefulness of generalised quantum chemical valence parameters in monitoring the course of a chemical reaction: a case study of the photochemical decomposition of HNO in excited states Proceedings of the Indian Academy of Sciences - Chemical Sciences, 101 (5). pp. 421-428. ISSN 0253-4134

Bhattacharyya, Bharati ; Medhi, Chitrani ; De, B. R. ; Bhattacharyya, S. P. (1989) Macroscopic solvation of molecules in excited states: an MCSCF model including solvent polarization effects-I Proceedings of the Indian Academy of Sciences - Chemical Sciences, 101 (3). pp. 235-242. ISSN 0253-4134

Das, Kalyan K. ; Mukherjee, D. ; Bhattacharyya, S. P. (1989) Spectroscopic and structural features of small thiocarbonyl molecules in low-lying excited states: further applications of a variant of the orthogonal gradient method International Journal of Quantum Chemistry, 35 (4). pp. 483-494. ISSN 0020-7608

Das, K. K. ; Bhattacharyya, S. P. (1988) Cation-inert gas atom interactions: a look into charge transfer energetics Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (6). pp. 509-517. ISSN 0253-4134

Medhi, Chitrani ; Bhattacharyya, S. P. (1988) Theoretical studies on hydrogen bonding in π-electron systems: a note on the structural features of diacetylene-hydrogen fluoride complexes Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (4). pp. 293-295. ISSN 0253-4134

Datta, Sumana ; De, Asish ; Bhattacharyya, Sankar Prasad ; Medhi, Chitrani ; Chakravarty, Ajit Kumar ; Brunskill, John S. A. ; Fadoujou, Solomon ; Fish, Kenneth (1988) Further application of dual substituent parameter and dual substituent parameter-non-linear resonance methods in modelling ¹³C substituent chemical shifts in β-substituted styrenes Journal of the Chemical Society, Perkin Transactions 2 (8). pp. 1599-1605. ISSN 0300-9580

Khan, P. ; Das, K. K. ; Bhattacharyya, S. P. (1987) On the use of dipole moment as a collective coordinate in constrained variational calculations Proceedings of the Indian Academy of Sciences - Chemical Sciences, 99 (1-2). pp. 83-89. ISSN 0253-4134

Datta, Sumana ; De, Asish ; Bhattacharyya, Sankar Prasad ; Medhi, Chitrani ; Chakraborty, Ajit Kumar (1986) Dual substituent parameter treatment of ¹³C substituent chemical shifts in 5-substitued 2-thenylidenemalononitriles and molecular orbital theoretical analysis at the CNDO/2 level Heterocycles, 24 (10). pp. 2827-2830. ISSN 0385-5414

Das, Kalyan Kumar ; Mukherjee, D. ; Bhattacharyya, S. P. (1986) Structural features of some small carbonyls in the ^1,3nπ states: an mcscf study International Journal of Quantum Chemistry, 29 (6). pp. 1745-1754. ISSN 0020-7608

Das, Kalyan K. ; Bhattacharyya, S. P. (1986) On the direct determination of constrained pure state one-electron density matrices: a new algorithm Chemical Physics Letters, 125 (3). pp. 225-230. ISSN 0009-2614

Das, Kalyan Kumar ; Mukherjee, Debashis ; Bhattacharyya, Sankar Prasad (1986) Applications of a novel algorithm for the calculation of MCSCF wavefunction: a look into possible avenues of convergence acceleration Proceedings of the Indian Academy of Sciences - Chemical Sciences, 96 (3-4). pp. 135-143. ISSN 0253-4134

Das, Kalyan K. ; Mukherjee, Debashis ; Bhattacharyya, Sankar P. (1986) Semiempirical calculations of molecular valence-shell ionization potentials by linear response theory based on coupled clusters Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 82 (4). pp. 695-705. ISSN 0300-9238

Jena, Sanjay K ; Bhattacharyya, S. P. (1986) The effect of microstructure on the thermal convection in a rectangular box of fluid heated from below International Journal of Engineering Science, 24 (1). pp. 69-78. ISSN 0020-7225

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1985) The INDO/2-AHP (average hole potential) method for excited states: comparison with the simple INDO/2-HP (hole potential) method International Journal of Quantum Chemistry, 28 (5). pp. 565-571. ISSN 0020-7608

Das, K. K. ; Khan, Priyotosh ; Bhattacharyya, S. P. (1985) On the direct determination of constrained pure state one-electron density matrices: part I. a new theoretical model for closed-shell systems Pramana - Journal of Physics, 25 (3). pp. 281-290. ISSN 0304-4289

Bhattacharyya, Sankar P. ; De, Asish ; Chakravarty, Ajit K. ; Brunskill, John S. A. ; Ewing, David F. (1985) Modelling ¹³C substituent chemical shifts in 3-aryl-2-cyanoacrylamides: an application of the dual-substituent parameter non-linear resonance (DSP-NLR) method Journal of the Chemical Society, Perkin Transactions 2 (3). pp. 473-478. ISSN 0300-9580

Mukherjee, A. K. ; Mukherjee (Nee Mondal), M. ; De, Asish ; Bhattacharyya, S. P. (1984) 2-Thienylmethylenemalononitrile, C₈H₄N₂S Acta Crystallographica Section C, 40 (6). pp. 991-992. ISSN 0108-2701

Das, Kalyan Kumar ; Mukherjee, Debashis ; Bhattacharyya, Sankar Prasad ; Bhattacharyya, Debendra Madhab ; Khan, Priyotosh (1984) Convergence problems in SCF calculations: further applications of a new technique based on the use of inverse Fock operator International Journal of Quantum Chemistry, 25 (5). pp. 809-816. ISSN 0020-7608

Bhattacharyya, Sankar Prasad ; Mukherjee, Debashis ; Bhattacharyya, Debendra Madhab ; Khan, Priyotosh (1982) Convergence behavior of some orbital optimization procedures International Journal of Quantum Chemistry, 22 (4). pp. 753-759. ISSN 0020-7608

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Molecular inversion in the nπ^∗ states: a theoretical investigation of some model systems in a semiempirical molecular orbital framework International Journal of Quantum Chemistry, 22 (4). pp. 775-782. ISSN 0020-7608

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Improved virtual orbitals in perturbative calculations: the case of an average double-hole potential model Chemical Physics Letters, 90 (3). pp. 211-214. ISSN 0009-2614

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Scaled one-electron hamiltonian model for open-shell LCAO-MO-SCF calculations: comparison with the restricted open-shell method of roothaan International Journal of Quantum Chemistry, 21 (5). pp. 905-915. ISSN 0020-760821

Bhattacharyya, Sankar Prasad (1982) Semiempirical molecular orbital calculations on octahedral aquo complexes of transition metal ions: σ-donor ability of water International Journal of Quantum Chemistry, 21 (5). pp. 851-855. ISSN 0020-7608

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Semiempirical molecular orbital studies on the electronic structure of molecules in excited states: the INDO/2-V_{N- 1} potential model : part I Journal of Molecular Structure: Theochem, 87 (1). pp. 31-41. ISSN 0166-1280

Bhattacharyya, Sankar Prasad ; Rakshit, S. C. ; Banerjee, Manas (1982) The INDO/2-AHP method for excited states : Part 2. The adiabatic proton affinities of formaldehyde in ^1,3nπ^∗ and ^1,3ππ^∗ states Journal of Molecular Structure, 91 . pp. 253-261. ISSN 0022-2860

Bhattacharyya, Sankar Prasad ; Mukherjee, Debashis (1981) A hybrid technique of orthonormality constrained orbital optimization in SCF calculations International Journal of Quantum Chemistry, 20 (6). pp. 1165-1177. ISSN 0020-7608

Bhattacharyya, Kamal ; Bhattacharyya, Sankar Prasad (1981) Limiting behavior of the ratio of r₁₂^-1 and r₁^-1 in the helium sequence International Journal of Quantum Chemistry, 20 (4). pp. 887-889. ISSN 0020-7608

Bhattacharyya, Sankar Prasad ; Chowdhury, Mihir (1981) An average fock operator technique of approximate open-shell LCAO-MO-SCF calculation Proceedings of the Indian Academy of Sciences - Chemical Sciences, 90 (5). pp. 391-405. ISSN 0253-4134

Bhattacharyya, Sankar Prasad (1981) A scaled "one-electron Hamiltonian" model for open-shell LCAO-MO-SCF calculations International Journal of Quantum Chemistry, 19 (5). pp. 735-743. ISSN 0020-7608

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1980) Change of molecular structure in the excited states: a (CNDO/2) hole-potential study on phosphin Proceedings of the Indian Academy of Sciences - Chemical Sciences, 89 (6). pp. 549-559. ISSN 0253-4134

Bhattacharayya, Kamal ; Bhattacharyya, Sankar Prasad (1980) The sign-change argument revisited Chemical Physics Letters, 76 (1). pp. 117-120. ISSN 0009-2614

Bhattacharyya, Sankar Prasad ; Banerjee, Manas (1980) An average "hole-potential" method for studying properties of molecules in excited states: a test calculation on thiophosgene Chemical Physics Letters, 75 (1). pp. 57-61. ISSN 0009-2614

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1980) CNDO/2-VN-1 potential method for studying molecular properties in the excited states. A comparative study on the excited singlet and triplet nπ^∗ states of some thiocarbonyls Journal of Physical Chemistry, 84 (22). pp. 2843-2847. ISSN 0022-3654

Bhattacharyya, Sankar Prasad (1980) CNDO bonding parameters in transition metal atoms Proceedings of the Indian Academy of Sciences - Chemical Sciences, 89 (2). pp. 183-192. ISSN 0253-4134

Bhattacharyya, Sankar Prasad ; Mukherjee, Debashis (1979) Some aspects of new orthonormality-constrained orbital optimisation technique Chemical Physics Letters, 66 (3). pp. 511-516. ISSN 0009-2614

Bhattacharyya, Sankar Prasad (1978) Accelerated convergence in SCF calculations and the level shifting technique Chemical Physics Letters, 56 (2). pp. 395-398. ISSN 0009-2614

Bhattacharyya, Sankar Prasad ; Chowdhury, Mihir (1977) A method for calculating CNDO-MO bonding parameters. 1 Journal of Physical Chemistry, 81 (16). pp. 1598-1602. ISSN 0022-3654

Bhattacharyya, Sankar Prasad ; Chowdhury, Mihir (1977) A method for calculating CNDO-MO bonding parameters. 2. Preliminary applications Journal of Physical Chemistry, 81 (16). pp. 1602-1604. ISSN 0022-3654