Items where Author is "Mukherjee, Debashis"

Article

Kong, Liguo ; Nooijen, Marcel ; Mukherjee, Debashis (2010) An algebraic proof of generalized Wick theorem Journal of Chemical Physics, 132 (23). pp. 234107_1-234107_8. ISSN 0021-9606

Maitra, Rahul ; Datta, Dipayan ; Mukherjee, Debashis (2009) Use of a convenient size-extensive normalization in multi-reference coupled cluster (MRCC) theory with incomplete model space: a novel valence universal MRCC formulation Chemical Physics, 356 (1-3). pp. 54-63. ISSN 0301-0104

Datta, Dipayan ; Mukherjee, Debashis (2009) An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications Journal of Chemical Physics, 131 (4). pp. 044124 _1-044124 _30. ISSN 0021-9606

Datta, Dipayan ; Mukherjee, Debashis (2008) A compact spin-free combinatoric open-shell coupled cluster theory applied to single-reference doublets International Journal of Quntum Chemistry, 108 (12). pp. 2211-2222. ISSN 0020-7608

Jana, Debasis ; Datta, Dipayan ; Mukherjee, Debashis (2006) A novel VU-MRCC formalism for the simultaneous treatment of strong relaxation and correlation effects with applications to electron affinity of neutral radicals Chemical Physics, 329 (1-3). pp. 290-306. ISSN 0301-0104

Das, Sanghamitra ; Bera, Nabakumar ; Ghosh, Subhasree ; Mukherjee, Debashis (2006) An externally-corrected size-extensive single-root MRCC formalism: its kinship with the rigorously size-extensive state-specific MRCC theory Journal of Molecular Structure: Theochem, 771 (1-3). pp. 79-87. ISSN 0166-1280

Pahari, Dola ; Ghosh, Pradipta ; Mukherjee, Debashis ; Chattopadhyay, Sudip (2006) Towards the Development and Applications of Manifestly Spin-free Multi-reference Coupled Electron-pair Approximation-like Methods: A State Specific Approach Theoretical Chemistry Accounts, 116 (4-5). pp. 621-636. ISSN 1432-881X

Pahari, Dola ; Ghosh, Pradipta ; Mukherjee, Debashis ; Chattopadhyay, Sudip (2006) Towards the development and applications of manifestly spin-free multi-reference coupled electron-pair approximation-like methods: a state specific approach Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 116 (4-5). pp. 621-636. ISSN 1432-881X

Nooijen, Marcel ; Shamasundar, K. R. ; Mukherjee, Debashis (2005) Reflections on size-extensivity, size-consistency and generalized extensivity in many-body theory Molecular Physics, 103 (15&16). pp. 2277-2298. ISSN 0026-8976

Kutzelnigg, Werner ; Mukherjee, Debashis (2005) Minimal parametrization of an n-electron state Physical Review A, 71 (2). pp. 022502_1-022502_18. ISSN 1050-2947

Chaudhuri, Rajat K. ; Freed, Karl F. ; Hose, Gabriel ; Piecuch, Piotr ; Kowalski, Karol ; Wloch, Marta ; Chattopadhyay, Sudip ; Mukherjee, Debashis ; Rolik, Zoltan ; Szabados, Agnes ; Toth, Gabor ; Surjan, Peter R. (2005) Comparison of low-order multireference many-body perturbation theories Journal of Chemical Physics, 122 (13). pp. 134105_1-134105_9. ISSN 0021-9606

Chaudhuri, Rajat K. ; Freed, Karl F. ; Hose, Gabriel ; Piecuch, Piotr ; Kowalski, Karol ; Włoch, Marta ; Chattopadhyay, Sudip ; Mukherjee, Debashis ; Rolik, Zoltán ; Szabados, Ágnes ; Tóth, Gábor ; Surján, Péter R. (2005) Comparison of low-order multireference many-body perturbation theories The Journal of Chemical Physics, 122 (13). p. 134105. ISSN 0021-9606

Jana, Debasis ; Mukherjee, Debashis (2005) Development of a relaxation-inducing cluster expansion formalism for treating strong relaxation and correlation effects Journal of Chemical Physics, 122 (23). pp. 234101 _1- 234101_16. ISSN 0021-9606

Bera, Nabakumar ; Ghosh, Subhasree ; Mukherjee, Debashis ; Chattopadhyay, Sudip (2005) Reappraisal of the Role of Size-Extensive Normalization for Multireference Coupled Cluster (MRCC) Theory Using General Model Space: A Valence Universal MRCC Approach The Journal of Physical Chemistry A, 109 (50). pp. 11462-11469. ISSN 1089-5639

Mukherjee, Debashis ; Kutzelnigg, Werner (2004) Some comments on the coupled cluster with generalized singles and doubles (CCGSD) ansatz Chemical Physics Letters, 397 (1-3). pp. 174-179. ISSN 0009-2614

Sahoo, Bijaya K. ; Majumder, Sonjoy ; Chaudhuri, Rajat K. ; Das, B. P. ; Mukherjee, Debashis (2004) Ab initio determination of the lifetime of the 6²P_3/2 state for ²⁰⁷Pb⁺ by relativistic many-body theory Journal of Physics B: Atomic, Molecular and Optical Physics, 37 (17). pp. 3409-3418. ISSN 0953-4075

Kutzelnigg, Werner ; Mukherjee, Debashis (2004) Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. III. Systems of noninteracting electrons Journal of Chemical Physics, 120 (16). pp. 7340_1-7340_10. ISSN 0021-9606

Kutzelnigg, Werner ; Mukherjee, Debashis (2004) Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. IV. Perturbative analysis Journal of Chemical Physics, 120 (16). pp. 7350_1-7350_19. ISSN 0021-9606

Pahari, Dola ; Chattopadhyay, Sudip ; Deb, Avik ; Mukherjee, Debashis (2004) An orbital-invariant coupled electron-pair like approximant to a state-specific multi-reference coupled cluster formalism Chemical Physics Letters, 386 (4-6). pp. 307-312. ISSN 00092614

Chattopadhyay, Sudip ; Pahari, Dola ; Mukherjee, Debashis ; Mahapatra, Uttam Sinha (2004) A state-specific approach to multireference coupled electron-pair approximation like methods: Development and applications The Journal of Chemical Physics, 120 (13). pp. 5968-5986. ISSN 0021-9606

Chattopadhyay, Sudip ; Pahari, Dola ; Mukherjee, Debashis ; Mahapatra, Uttam Sinha (2004) A state-specific approach to multireference coupled electron-pair approximation like methods: development and applications Journal of Chemical Physics, 120 (13). pp. 5968_1-5968_19. ISSN 0021-9606

Chaudhuri, Rajat K. ; Sahoo, Bijaya Kumar ; Das, Bhanu Pratap ; Merlitz, Holger ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2003) Relativistic coupled cluster calculations of the energies for rubidium and cesium atoms Journal of Chemical Physics, 119 (20). pp. 10633_1-10633_5. ISSN 0021-9606

Pahari, Dola ; Chattopadhyay, Sudip ; Das, Sanghamitra ; Mukherjee, Debashis (2003) A size-extensive state-specific multi-reference many-body approach using incomplete model spaces Chemical Physics Letters, 381 (1-2). pp. 223-229. ISSN 0009-2614

Sahoo, Bijaya K. ; Gopakumar, Geetha ; Chaudhuri, Rajat K. ; Das, B. P. ; Merlitz, Holger ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2003) Magnetic dipole hyperfine interactions in ¹³⁷Ba⁺ and the accuracies of the neutral weak interaction matrix elements Physical Review A, 68 (4). pp. 040501_1-040501_4. ISSN 1050-2947

Sahoo, Bijaya K. ; Chaudhuri, Rajat K. ; Das, B. P. ; Majumder, Sonjoy ; Merlitz, Holger ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2003) Influence of correlation effects on the magnetic dipole hyperfine interaction in the low-lying states of Ca⁺ Journal of Physics B: Atomic, Molecular and Optical Physics, 36 (10). pp. 1899-1906. ISSN 0953-4075

Pahari, Dola ; Chattopadhyay, Sudip ; Das, Sanghamitra ; Mukherjee, Debashis (2003) A size-extensive state-specific multi-reference many-body approach using incomplete model spaces Chemical Physics Letters, 381 (1-2). pp. 223-229. ISSN 00092614

Gopakumar, Geetha ; Merlitz, Holger ; Chaudhuri, Rajat K. ; Das, B. P. ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2002) Electric dipole quadrupole transition amplitudes for Ba⁺ using relativistic coupled-cluster method Physical Review A, 66 (3). pp. 032505_1-032505_6. ISSN 1050-2947

Majumder, Sonjoy ; Merlitz, Holger ; Gopakumar, Geetha ; Das, B. P. ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2002) Accurate calculations of interstellar lines of Mg⁺ using the coupled cluster approach Astrophysical Journal, 574 (1). pp. 513-517. ISSN 0004-637X

Chattopadhyay, Sudip ; Mahapatra, Uttam Sinha ; Datta, Barnali ; Mukherjee, Debashis (2002) State-specific multi-reference coupled electron-pair approximation like methods: formulation and molecular applications Chemical Physics Letters, 357 (5-6). pp. 426-433. ISSN 0009-2614

Jana, Debasis ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2002) A compact spin-free cluster expansion formalism for simple open-shell configurations Chemical Physics Letters, 353 (1-2). pp. 100-110. ISSN 0009-2614

Kutzelnigg, Werner ; Mukherjee, Debashis (2002) Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. II. Spin-free formulation Journal of Chemical Physics, 116 (12). pp. 4787_1-4787_15. ISSN 0021-9606

Chattopadhyay, Sudip ; Mahapatra, Uttam Sinha ; Ghosh, Pradipta ; Mukherjee, Debashis (2002) State-Specific Multireference Coupled Cluster-Based Methods for Potential Energy Surfaces and Their Approximate Variants Low-Lying Potential Energy Surfaces, 828 . pp. 109-152. ISSN 0097-6156

Ghosh, Pradipta ; Chattopadhyay, Sudip ; Jana, Debasis ; Mukherjee, Debashis (2002) State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications International Journal of Molecular Sciences, 3 (6). pp. 733-754. ISSN 1422-0067

Chattopadhyay, Sudip ; Sinha Mahapatra, Uttam ; Datta, Barnali ; Mukherjee, Debashis (2002) State-specific multi-reference coupled electron-pair approximation like methods: formulation and molecular applications Chemical Physics Letters, 357 (5-6). pp. 426-433. ISSN 00092614

Ghosh, Pradipta ; Chattopadhyay, Sudip ; Jana, Debasis ; Mukherjee, Debashis (2002) State-specific multi-reference perturbation theories with relaxed coefficients: molecular applications International Journal of Molecular Sciences, 3 (6). pp. 733-754. ISSN 1424-6783

Jana, Debasis ; Mahapatra, Uttam S. ; Mukherjee, Debashis (2002) Use of a new cluster ansatz to treat strong relaxation and correlation effects: a direct method for energy differences International Journal of Molecular Sciences, 3 (5). pp. 550-569. ISSN 1424-6783

Gopakumar, Geetha ; Merlitz, Holger ; Majumder, Sonjoy ; Chaudhuri, Rajat K. ; Das, B. P. ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2001) Ionization potential and excitation energy calculations for Ba⁺ using relativistic coupled-cluster method Physical Review A, 64 (3). pp. 032502_1-032502_5. ISSN 1050-2947

Mandal, Sheikh Hannan ; Ghosh, Rathindranath ; Mukherjee, Debashis (2001) A non-perturbative cumulant expansion method for the grand partition function of quantum systems Chemical Physics Letters, 335 (3-4). pp. 281-288. ISSN 0009-2614

Merlitz, H. ; Gopakumar, Geetha ; Chaudhuri, Rajat K. ; Das, B. P. ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2001) Core effects on ionization potentials in thallium Physical Review A, 63 (2). pp. 022507_1-022507_4. ISSN 1050-2947

Mukherjee, Debashis ; Kutzelnigg, Werner (2001) Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. I. The equations satisfied by the density cumulants Journal of Chemical Physics, 114 (5). pp. 2047_1-2047_15. ISSN 0021-9606

Chaudhuri, Rajat K. ; Panda, Prafulla K. ; Merlitz, Holger ; Das, B. P. ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2000) Ionization potentials of beryllium-like ions from the relativistic coupled-cluster-based linear response theory Journal of Physics B: Atomic, Molecular and Optical Physics, 33 (22). pp. 5129-5138. ISSN 0953-4075

Kutzelnigg, Werner ; Mukherjee, Debashis (2000) Direct determination of the cumulants of the reduced density matrices Chemical Physics Letters, 317 (6). pp. 567-574. ISSN 0009-2614

Chattopadhyay, Sudip ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2000) Development of a linear response theory based on a state-specific multireference coupled cluster formalism The Journal of Chemical Physics, 112 (18). pp. 7939-7952. ISSN 0021-9606

Mahapatra, Uttam Sinha ; Datta, Barnali ; Mukherjee, Debashis (1999) Development of a size-consistent state-specific multireference perturbation theory with relaxed model-space coefficients Chemical Physics Letters, 299 (1). pp. 42-50. ISSN 0009-2614

Jana, Debasis ; Bandyopadhyay, Barun ; Mukherjee, Debashis (1999) Development and applications of a relaxation-inducing cluster expansion theory for treating strong relaxation and differential correlation effects Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 102 (1-6). pp. 317-327. ISSN 1432-881X

Ten-no, Seiichiro ; Iwata, Suehiro ; Pal, Sourav ; Mukherjee, Debashis (1999) Generalization of coupled-cluster response theory to multireference expansion spaces: application of the coupled-cluster singles and doubles effective Hamiltonian Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 102 (1-6). pp. 252-261. ISSN 1432-881X

Chattopadhyay, Sudip ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (1999) Property calculations using perturbed orbitals via state-specific multireference coupled-cluster and perturbation theories Journal of Chemical Physics, 111 (9). pp. 3820_1-3820_12. ISSN 0021-9606

Chattopadhyay, Sudip ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (1999) Property calculations using perturbed orbitals via state-specific multireference coupled-cluster and perturbation theories The Journal of Chemical Physics, 111 (9). pp. 3820-3831. ISSN 0021-9606

Mahapatra, Uttam Sinha ; Datta, Barnali ; Mukherjee, Debashis (1999) A size-consistent state-specific multireference coupled cluster theory: formal developments and molecular applications Journal of Chemical Physics, 110 (13). pp. 6171_1-6171_18. ISSN 0021-9606

Vaval, Nayana ; Pal, Sourav ; Mukherjee, Debashis (1998) Fock space multireference coupled cluster theory: noniterative inclusion of triples for excitation energies Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 99 (2). pp. 100-105. ISSN 1432-881X

Mahapatra, Uttam Sinha ; Datta, Barnali ; Bandyopadhyay, Barun ; Mukherjee, Debashis (1998) State-specific multi-reference coupled cluster formulations: two paradigms Advances in Quantum Chemistry, 30 . pp. 163-193. ISSN 0065-3276

Mukherjee, Debashis (1997) Normal ordering and a Wick-like reduction theorem for fermions with respect to a multi-determinantal reference state Chemical Physics Letters, 274 (5-6). pp. 561-566. ISSN 0009-2614

Datta, Barnali ; Mukherjee, Debashis (1995) Treatment of quasi-degeneracy in single-reference coupled-cluster theory. Separation of dynamical and nondynamical correlation effects Chemical Physics Letters, 235 (1-2). pp. 31-36. ISSN 0009-2614

Mukherjee, Debashis ; Zaitsevskii, Andrei (1995) Valence-specific open-shell coupled-cluster approach using a common vacuum. An application to doublet electronic states Chemical Physics Letters, 233 (5-6). pp. 605-610. ISSN 0009-2614

Vaval, Nayana ; Ghose, Keya B. ; Pal, Sourav ; Mukherjee, Debashis (1993) Fock-space multireference coupled-cluster theory. Fourth-order corrections to the ionization potential Chemical Physics Letters, 209 (3). pp. 292-298. ISSN 0009-2614

Datta, Barnali ; Mukhopadhyay, Debasis ; Mukherjee, Debashis (1993) Consistent propagator theory based on the extended coupled-cluster parametrization of the ground state Physical Review A, 47 (5). pp. 3632-3648. ISSN 1050-2947

Mukhopadhyay, Debasis ; Datta (nee Kundu), Barnali ; Mukherjee, Debashis (1992) The construction of a size-extensive intermediate Hamiltonian in a coupled-cluster framework Chemical Physics Letters, 197 (3). pp. 236-242. ISSN 0009-2614

Sanyal, Goutam ; Mandal, Seikh Hannan ; Mukherjee, Debashis (1992) Thermal averaging in quantum many-body systems: a non-perturbative thermal cluster cumulant approach Chemical Physics Letters, 192 (1). pp. 55-61. ISSN 0009-2614

Guha, Sruti ; Mukherjee, Debashis (1992) Stochastic averaging in quantum dynamics driven by colored noise: a nonperturbative cluster cumulant approach Chemical Physics Letters, 190 (1-2). pp. 83-90. ISSN 0009-2614

Guha, Sruti ; Mukherjee, Debashis (1991) A multireference coupled-cluster approach to quantum dynamics Chemical Physics Letters, 186 (1). pp. 84-90. ISSN 0009-2614

Kundu, Barnali ; Mukherjee, Debashis (1991) Property calculations by coupled cluster based linear response theory: dynamic polarizability and van der Waals coefficient Chemical Physics Letters, 179 (5-6). pp. 468-474. ISSN 0009-2614

Mukhopadhyay Jr., Debasis ; Mukherjee, Debashis (1991) Molecular applications of size-extensive quasi-Hilbert- and quasi-Fock-space coupled-cluster formalisms using incomplete model spaces Chemical Physics Letters, 177 (4-5). pp. 441-446. ISSN 0009-2614

Mukhopadhyay, Debasis ; Mukhopadhyay, Saroj ; Chaudhuri, Rajat ; Mukherjee, Debashis (1991) Aspects of separability in the coupled cluster based direct methods for energy differences Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 80 (6). pp. 441-467. ISSN 1432-881X

Mukhopadhyay, Saroj Kr ; Chaudhuri, Rajat ; Mukhopadhyay Jr., Debasis ; Mukherjee, Debashis (1990) A comparative study of core-extensive and core-valence-extensive coupled-cluster theories for energy differences: excitation energies Chemical Physics Letters, 173 (2-3). pp. 181-186. ISSN 0009-2614

Mukhopadhyay Jr., Debasis ; Chaudhuri, Rajat ; Mukherjee, Debashis (1990) A new nonperturbative theory of core-hole ionizations: a compact cluster-expansion technique for treating relaxation effects Chemical Physics Letters, 172 (6). pp. 515-521. ISSN 0009-2614

Chaudhuri, Rajat ; Sinha, Dhiman ; Mukherjee, Debashis (1989) On the extensivity of the roots of effective Hamiltonians in many-body formalisms employing incomplete model spaces Chemical Physics Letters, 163 (2-3). pp. 165-170. ISSN 0009-2614

Mukhopadhyay Jr., Debasis ; Mukherjee, Debashis (1989) Size-extensive effective Hamiltonian formalisms using quasi-Hilbert and quasi-Fock space strategies with incomplete model spaces Chemical Physics Letters, 163 (2-3). pp. 171-177. ISSN 0009-2614

Chaudhuri, Rajat ; Mukhopadhyay Jr., Debasis ; Mukherjee, Debashis (1989) Applications of open-shell coupled cluster theory using eigenvalue-independent partitioning technique: approximate inclusion of triples in IP calculations Chemical Physics Letters, 162 (4-5). pp. 393-398. ISSN 0009-2614

Pal, Sourav ; Rittby, Magnus ; Bartlett, Rodney J. ; Sinha, Dhiman ; Mukherjee, Debashis (1988) Molecular applications of multireference coupled-cluster methods using an incomplete model space: direct calculation of excitation energies Journal of Chemical Physics, 88 (7). pp. 4357-4366. ISSN 0021-9606

Pal, Sourav ; Rittby, Magnus ; Bartlett, Rodney J. ; Sinha, Dhiman ; Mukherjee, Debashis (1987) Multireference coupled-cluster methods using an incomplete model space: application to ionization potentials and excitation energies of formaldehyde Chemical Physics Letters, 137 (3). pp. 273-278. ISSN 0009-2614

Mukherjee, Debashis ; Kutzelnigg, Werner ; Koch, Sigurd (1987) Connected-diagram expansions of effective Hamiltonian in incomplete model spaces. II. General incomplete model spaces Journal of Chemical Physics, 87 (10). pp. 5911_1-5911_6. ISSN 0021-9606

Sinha, Dhiman ; Mukhopadhay, Saroj Kr. ; Prasad, M. Durga ; Mukherjee, Debashis (1986) Molecular applications of open-shell coupled cluster theory for energy difference calculations: ionization and auger spectra of F₂ Chemical Physics Letters, 125 (3). pp. 213-217. ISSN 0009-2614

Mukherjee, Debashis (1986) The linked-cluster theorem in the open-shell coupled-cluster theory for incomplete model spaces Chemical Physics Letters, 125 (3). pp. 207-212. ISSN 0009-2614

Mukherjee, Debashis (1986) Aspects of linked cluster expansion in general model space many-body perturbation and coupled-cluster theory International Journal of Quantum Chemistry, 30 (S20). pp. 409-435. ISSN 0020-7608

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

Bhattacharyya, Kamal ; Mukherjee, Debashis (1986) On estimate of the quantum recurrence time Journal of Chemical Physics, 84 (6). pp. 3212_1-3212_3. ISSN 0021-9606

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

Mukhopadhyay, Saroj K. ; Sinha, Dhiman ; Prasad, M. Durga ; Mukherjee, Debashis (1985) Molecular applications of coupled-cluster-based linear response theory: inner and outer valence ionization potentials of nitrogen and water Chemical Physics Letters, 117 (5). pp. 437-443. ISSN 0009-2614

Prasad, M. Durga ; Pal, Sourav ; Mukherjee, Debashis (1985) Some aspects of self-consistent propagator theories Physical Review A, 31 (3). pp. 1287-1298. ISSN 1050-2947

Pal, Sourav ; Durga Prasad, M. ; Mukherjee, Debashis (1985) A variational coupled cluster theory for closed shells using a propagator modification procedure Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 68 (2). pp. 125-138. ISSN 1432-881X

Bhattacharyya, Kamal ; Mukherjee, Debashis (1984) Some aspects of the convergence behaviour of the Brillouin-Wigner perturbation scheme Chemical Physics Letters, 111 (4-5). pp. 421-427. ISSN 0009-2614

Haque, Azizul ; Mukherjee, Debashis (1984) A Hermitian open-shell many-body perturbation theory for treating intruder states Pramana - Journal of Physics, 23 (5). pp. 651-664. ISSN 0304-4289

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

Pal, Sourav ; Durga Prasad, M. ; Mukherjee, Debashis (1984) Development of a size-consistent energy functional for open shell states Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 66 (5). pp. 311-332. ISSN 1432-881X

Pal, Sourav ; Durga Prasad, M. ; Mukherjee, Debashis (1983) Use of a size-consistent energy functional in many electron theory for closed shells Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 62 (6). pp. 523-536. ISSN 1432-881X

Ghosh, Somnath ; Mukherjee, Debashis ; Bhattacharyya, Subir Nath (1982) A spin-adapted linear response theory in a coupled-cluster framework for direct calculation of spin-allowed and spin-forbidden transition energies Chemical Physics, 72 (1-2). pp. 161-176. ISSN 0301-0104

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

Pal, Sourav ; Durga Prasad, M. ; Mukherjee, Debashis (1982) On certain correspondences among various coupled-cluster theories for closed-shell systems Pramana - Journal of Physics, 18 (3). pp. 261-270. ISSN 0304-4289

Prasad, M. Durga ; Pal, Sourav ; Mukherjee, Debashis (1982) Use of modified propagators in many-body perturbation theory Journal of the Chemical Society, Faraday Transactions 2, 78 (10). pp. 1743-1752. ISSN 0300-9238

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

Ghosh, Somnath ; Mukherjee, Debashis ; Bhattacharyya, Subirnath (1981) Application of linear response theory in a coupled cluster framework for the calculation of ionization potentials Molecular Physics, 43 (1). pp. 173-179. ISSN 0026-8976

Mukherjee, Debashis ; Bhattacharyya, Dipan (1979) Symmetry-adapted many-body perturbation theory: use of the wave operator matrix elements Pramana - Journal of Physics, 13 (5). pp. 535-544. ISSN 0304-4289

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

Mukherjee, Debashis (1979) On the hierarchy equations of the wave-operator for open-shell systems Pramana - Journal of Physics, 12 (3). pp. 203-225. ISSN 0304-4289

Mukherjee, Debashis ; Moitra, Raj Kumar ; Mukhopadhyay, Atri (1977) An ab-initio derivation of the pi-electron Hamiltonian by a non-perturbative open-shell formalism Pramana - Journal of Physics, 9 (6). pp. 545-572. ISSN 0304-4289

Mukherjee, Debashis ; Moitra, Raj Kumar ; Mukhopadhyay, Atri (1975) Correlation problem in open-shell atoms and molecules. A non-perturbative linked cluster formulation Molecular Physics, 30 (6). pp. 1861-1888. ISSN 0026-8976

Mukherjee, Debashis (1975) Orbital optimisation in single open-shell configurations: a sequential unconstrained minimisation technique International Journal of Quantum Chemistry, 9 (6). pp. 943-949. ISSN 0020-7608

Mukhopadhyay, Atri ; Moitra, Raj Kumar ; Mukherjee, Debashis (1975) On a new partitioning of the Hamiltonian in many-body calculation of pair-correlation energies in closed-shell systems International Journal of Quantum Chemistry, 9 (3). pp. 545-554. ISSN 0020-7608

Mukherjee, Debashis (1974) A comparative calculation on excited state energies of some conjugated hydrocarbons International Journal of Quantum Chemistry, 8 (2). pp. 247-253. ISSN 0020-7608