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Maark, Tuhina Adit ; Pal, Sourav (2010) A model study of effect of M = Li⁺, Na⁺, Be²⁺, Mg²⁺, and Al³⁺ ion decoration on hydrogen adsorption of metal-organic framework-5 International Journal of Hydrogen Energy, 35 (23). pp. 12846-12857. ISSN 0360-3199

Banik, Subrata ; Pal, Sourav (2010) Calculation of dipole transition matrix elements and expectation values by vibrational coupled cluster method Journal of Chemical Theory and Computation, 6 (10). pp. 3198-3204. ISSN 1549-9618

Kulkarni, Bhakti S. ; Krishnamurty, Sailaja ; Pal, Sourav (2010) Probing Lewis acidity and reactivity of Sn- and Ti-beta zeolite using industrially important moieties: a periodic density functional study Journal of Molecular Catalysis A: Chemical, 329 (1-2). pp. 36-43. ISSN 1381-1169

Kar, Rahul ; Pal, Sourav (2010) Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach International Journal of Quantum Chemistry, 110 (9). pp. 1642-1647. ISSN 0020-7608

De, Himadri Sekhar ; Krishnamurty, Sailaja ; Pal, Sourav (2010) Understanding the reactivity properties of Au_n (6 ≤ n ≤ 13) clusters using density functional theory based reactivity descriptors Journal of Physical Chemistry C, 114 (14). pp. 6690-6703. ISSN 1932-7447

Theis, Daniel ; Khait, Yuriy G. ; Pal, Sourav ; Hoffmann, Mark R. (2010) Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory Chemical Physics Letters, 487 (1-3). pp. 116-121. ISSN 0009-2614

Shedge, Sapana V. ; Carmona-Espndola, Javier ; Pal, Sourav ; Koster, Andreas M. (2010) Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed Kohn-Sham method: case study of the polarizabilities of disubstituted azoarene molecules Journal of Physical Chemistry A, 114 (6). pp. 2357-2364. ISSN 1089-5639

Kulkarni, Bhakti S. ; Krishnamurty, Sailaja ; Pal, Sourav (2010) Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction Chemical Physics Letters, 484 (4-6). pp. 374-379. ISSN 0009-2614

Ganguly, Parthasarathy ; Kulkarni, Bhakti S. ; Pal, Sourav (2009) Bond length variations: electron number profiles and transferable atomic sizes Journal of Molecular Structure, 936 (1-3). pp. 1-8. ISSN 0022-2860

Eliav, Ephraim ; Borschevsky, Anastasia ; Shamasundar, K. R. ; Pal, Sourav ; Kaldor, Uzi (2009) Intermediate Hamiltonian Hilbert space coupled cluster method: theory and pilot application International Journal of Quantum Chemistry, 109 (13). pp. 2909-2915. ISSN 0020-7608

Mishra, Deepti ; Pal, Sourav (2009) Ionization potential and structure relaxation of adenine, thymine, guanine and cytosine bases and their base pairs: a quantification of reactive sites Journal of Molecular Structure: Theochem, 902 (1-3). pp. 96-102. ISSN 0166-1280

De, Himadri Sekhar ; Krishnamurty, Sailaja ; Pal, Sourav (2009) Density functional investigation of relativistic effects on the structure and reactivity of tetrahedral gold clusters Journal of Physical Chemistry C, 113 (17). pp. 7101-7106. ISSN 1932-7447

Bag, Arijit ; Manohar, Prashant Uday ; Vaval, Nayana ; Pal, Sourav (2009) First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach Journal of Chemical Physics, 131 (2). 024102_1-024102_8. ISSN 0021-9606

Ravichandran, Lalitha ; Vaval, Nayana ; Pal, Sourav (2009) Magnetizability of doublet radicals using Fock space multi-reference coupled cluster method International Journal of Quantum Chemistry, 109 (10). pp. 2191-2198. ISSN 0020-7608

Sophy, K. B. ; Shedge, Sapana V. ; Pal, Sourav (2008) Noniterative density functional response approach: application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives Journal of Physical Chemistry A, 112 (44). pp. 11266-11272. ISSN 1089-5639

Kelkar, Tuhina ; Kanhere, D. G. ; Pal, Sourav (2008) First principles calculations of thermal equations of state and thermodynamical properties of MgH₂ at finite temperatures Computational Materials Science, 42 (3). pp. 510-516. ISSN 0927-0256

Kelkar, Tuhina ; Pal, Sourav ; Kanhere, Dilip G. (2008) Density functional investigations of electronic structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride ChemPhysChem, 9 (6). pp. 928-934. ISSN 1439-4235

Shetty, Sharan ; Kulkarni, Bhakti S. ; Kanhere, Dilip G. ; Goursot, Annick ; Pal, Sourav (2008) A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory Journal of Physical Chemistry B, 112 (9). pp. 2573-2579. ISSN 1089-5647

Banik, Subrata ; Pal, Sourav ; Durga Prasad, M. (2008) Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies Journal of Chemical Physics, 129 (13). 134111_1-134111_9. ISSN 0021-9606

Kar, Rahul ; Pal, Sourav (2008) Electric field response of molecular reactivity descriptors: a case study Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 120 (4-6). pp. 375-383. ISSN 1432-881X

Gupta, Neelima ; Garg, Reena ; Shah, Kirti Kr. ; Tanwar, Akhilesh ; Pal, Sourav (2007) Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivity Journal of Physical Chemistry A, 111 (36). pp. 8823-8828. ISSN 1089-5639

Kulkarni, Bhakti S. ; Tanwar, Akhilesh ; Pal, Sourav (2007) Reactivity descriptors and electron density analysis for ligand chemistry: a case study of 2,2'-bipyridine and its analogues Journal of Chemical Sciences, 119 (5). pp. 489-499. ISSN 0253-4134

Sophy, K. B. ; Calaminici, Patrizia ; Pal, Sourav (2007) Density functional static dipole polarizability and first-hyperpolarizability calculations of Na_n (n = 2, 4, 6, 8) clusters using an approximate CPKS method and its comparison with MP2 calculations Journal of Chemical Theory and Computation, 3 (3). pp. 716-727. ISSN 1549-9618

Manohar, Prashant Uday ; Pal, Sourav (2007) Dipole moments and polarizabilities of some small radicals using constrained variational response to Fock-space multi-reference coupled-cluster theory Chemical Physics Letters, 438 (4-6). pp. 321-325. ISSN 0009-2614

Kar, Rahul ; Chandrakumar, K. R. S. ; Pal, Sourav (2007) The influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes Journal of Physical Chemistry A, 111 (2). pp. 375-383. ISSN 1089-5639

Heidari, Ideh ; Pal, Sourav ; Pujari, B. S. ; Kanhere, D. G. (2007) Electronic structure of spherical quantum dots using coupled cluster method Journal of Chemical Physics, 127 (11). 114708_1-114708_6. ISSN 1674-0068

Tanwar, Akhilesh ; Bagchi, Biman ; Pal, Sourav (2006) Interaction induced shifts in O-H stretching frequency of water in halide-ion water clusters: a microscopic approach with a bond descriptor Journal of Chemical Physics, 125 (21). 214304 _1-214304 _6. ISSN 0021-9606

Pal, Sourav ; Sajeev, Y. ; Vaval, Nayana (2006) Analytically continued Fock space multi-reference coupled-cluster theory: application to the shape resonance Chemical Physics, 329 (1-3). pp. 283-289. ISSN 0301-0104

Manohara, Prashant Uday ; Vaval, Nayana ; Pal, Sourav (2006) Constrained variational response to Fock-space multi-reference coupled-cluster theory: some pilot applications Journal of Molecular Structure: Theochem, 768 (1-3). pp. 91-96. ISSN 0166-1280

Fischer, Gerd ; Goursot, Annick ; Coq, Bernard ; Delahay , Gerard ; Pal, Sourav (2006) Theoretical study of N₂O reduction by CO in Fe-BEA zeolite ChemPhysChem, 7 (8). pp. 1795-1801. ISSN 1439-4235

Tanwar, Akhilesh ; Pal, Sourav ; Roy, Debesh Ranjan ; Chattaraj, Pratim Kumar (2006) Minimum magnetizability principle Journal of Chemical Physics, 125 (5). 056101-056102. ISSN 1674-0068

Shetty, Sharan ; Kar, Rahul ; Kanhere, Dilip G. ; Pal, Sourav (2006) Intercluster reactivity of metalloaromatic and antiaromatic compounds and their applications in molecular electronics: a theoretical investigation Journal of Physical Chemistry A, 110 (1). pp. 252-256. ISSN 1089-5639

Shetty, Sharan ; Pal, Sourav ; Kanhere, Dilip G. ; Goursot, Annick (2005) Structural, electronic, and bonding properties of zeolite Sn-beta: a periodic density functional theory study Chemistry: A European Journal, 12 (2). pp. 518-523. ISSN 0947-6539

Tanwar, Akhilesh ; Pal, Sourav (2005) Separability of local reactivity descriptors Journal of Chemical Sciences, 117 (5). pp. 497-505. ISSN 0253-4134

Horny, Lubos ; Schaefer III, Henry F. ; Hubac, Ivan ; Pal, Sourav (2005) On the single-root approach within the framework of coupled-cluster theory in Fock space Chemical Physics, 315 (3). pp. 240-250. ISSN 0301-0104

Davis, Daly ; Sreekumar, K. ; Sajeev, Y. ; Pal, Sourav (2005) Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: an ab initio study Journal of Physical Chemistry B, 109 (29). pp. 14093-14101. ISSN 1089-5647

Datta, Ayan ; Pal, Sourav (2005) Effects of conjugation length and donor-acceptor functionalization on the non-linear optical properties of organic push-pull molecules using density functional theory Journal of Molecular Structure: Theochem, 715 (1-3). pp. 59-64. ISSN 0166-1280

Sajeev, Y. ; Santra, Robin ; Pal, Sourav (2005) Analytically continued Fock space multireference coupled-cluster theory: application to the ²∏_s shape resonance in e-N₂ scattering Journal of Chemical Physics, 122 (23). 234320_1-234320_10. ISSN 0021-9606

Sajeev, Y. ; Santra, Robin ; Pal, Sourav (2005) Correlated complex independent particle potential for calculating electronic resonances Journal of Chemical Physics, 123 (20). 204110_1-204110_10. ISSN 0021-9606

Tanwar, Akhilesh ; Pal, Sourav (2004) Behavior of the local reactivity descriptors during complexation: a case study of BXX'X' 'NH₃ (X, X', X" = H, F) Journal of Physical Chemistry A, 108 (52). pp. 11838-11845. ISSN 1089-5639

Vaval, Nayana ; Pal, Sourav (2004) A fully relaxed extended coupled-cluster approach for molecular properties Chemical Physics Letters, 398 (1-3). pp. 194-200. ISSN 0009-2614

Sophy, K. B. ; Pal, Sourav (2004) Electric properties of BH, CO and H₂O molecules by density functional response approach Journal of Molecular Structure: Theochem, 676 (1-3). pp. 89-95. ISSN 0166-1280

Manohar, Prashant Uday ; Vaval, Nayana ; Pal, Sourav (2004) Extended coupled-cluster approach for magnetizabilities of small molecules Chemical Physics Letters, 387 (4-6). pp. 442-447. ISSN 0009-2614

Sajeev, Y. ; Mishra, Manoj K. ; Vaval, Nayana ; Pal, Sourav (2004) Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on auger and shape resonances Journal of Chemical Physics, 120 (1). pp. 67-72. ISSN 0021-9606

Shetty, Sharan ; Kanhere, Dilip G. ; Pal, Sourav (2004) Metallo-antiaromatic Al₄Na₄ and Al₄Na₃^- compounds: a theoretical investigation Journal of Physical Chemistry A, 108 (4). pp. 628-631. ISSN 1089-5639

Shamasundar, K. R. ; Asokan, Subashini ; Pal, Sourav (2004) A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory Journal of Chemical Physics, 120 (14). pp. 6381-6398. ISSN 0021-9606

Chandrakumar, K. R. S. ; Pal, Sourav (2003) Study of local hard-soft acid-base principle: effects of basis set, electron correlation, and the electron partitioning method Journal of Physical Chemistry A, 107 (30). pp. 5755-5762. ISSN 1089-5639

Sophy, K. B. ; Pal, Sourav (2003) Density functional response approach for the linear and nonlinear electric properties of molecules Journal of Chemical Physics, 118 (24). pp. 10861-10866. ISSN 0021-9606

Shetty, Sharan ; Pal, Sourav ; Kanhere, D. G. (2003) A study of electronic and bonding properties of Sn doped Li_n clusters and aluminum based binary clusters through electron localization function Journal of Chemical Physics, 118 (16). 7288_1-7288_9. ISSN 1674-0068

Chandrakumar, K. R. S. ; Pal, Sourav (2002) A systematic study on the reactivity of Lewis acid-base complexes through the local hard-soft acid-base principle Journal of Physical Chemistry A, 106 (48). pp. 11775-11781. ISSN 1089-5639

Chandrakumar, K. R. S. ; Pal, Sourav (2002) Study of local hard-soft acid-base principle to multiple-site interactions Journal of Physical Chemistry A, 106 (23). pp. 5737-5744. ISSN 1089-5639

Chandrakumar, K. R. S. ; Pal, Sourav (2002) DFT and local reactivity descriptor studies on the nitrogen sorption selectivity from air by sodium and calcium exchanged zeolite-A Colloids and Surfaces A: Physicochemical and Engineering Aspects, 205 (1-2). pp. 127-138. ISSN 0927-7757

Sudrik, Surendra G. ; Chavan, Sambhaji P. ; Chandrakumar, K. R. S. ; Pal, Sourav ; Date, Sadgopal K. ; Chavan, Subhash P. ; Sonawane, Harikisan R. (2002) Microwave specific Wolff rearrangement of α-diazoketones and its relevance to the nonthermal and thermal effect Journal of Organic Chemistry, 67 (5). pp. 1574-1579. ISSN 0022-3263

Krishnamurty, Sailaja ; Pal, Sourav ; Goursot, Annick ; Vetrivel, Rajappan (2001) Quantum chemical calculations on the stability of different conformations of silicate building block structures in relevance to zeolite synthesis Microporous and Mesoporous Materials, 48 (1-3). pp. 383-390. ISSN 1387-1811

Vaval, Nayana ; Pal, Sourav (2001) Study of constant term for electron-molecule scattering: F₂, H₂CO and H₂O target examples Chemical Physics Letters, 345 (3-4). pp. 319-324. ISSN 0009-2614

Chandrakumar, K. R. S. ; Pal, Sourav (2001) A novel theoretical model for molecular recognition of multiple-site interacting systems using density response functions Journal of Physical Chemistry B, 105 (20). pp. 4541-4544. ISSN 1089-5647

Shamasundar, K. R. ; Pal, Sourav (2001) Development of an efficient linear response approach to the Hilbert space multi-reference coupled-cluster theory Journal of Chemical Physics, 114 (5). pp. 1981-1988. ISSN 0021-9606

Ajitha, D. ; Pal, Sourav (2001) Dipole moments of adiabatic excited states using the Fock space multireference coupled-cluster analytic response approach Journal of Chemical Physics, 114 (8). pp. 3380-3384. ISSN 0021-9606

Roy, Ram Kinkar ; Hirao, Kimihiko ; Krishnamurty, Sailaja ; Pal, Sourav (2001) Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge Journal of Chemical Physics, 115 (7). pp. 2901-2907. ISSN 0021-9606

Krishnamurty, Sailaja ; Pal, Sourav (2000) Intermolecular reactivity trends using the concept of group softness Journal of Physical Chemistry A, 104 (32). pp. 7639-7645. ISSN 1089-5639

Pal, Sourav ; Chandrakumar, K. R. S. (2000) Critical study of local reactivity descriptors for weak interactions: qualitative and quantitative analysis of adsorption of molecules in the zeolite lattice Journal of the American Chemical Society, 122 (17). pp. 4145-4153. ISSN 0002-7863

Hazra, A. B. ; Pal, Sourav (2000) Weak interaction between HCHY (Y=O, S) and LiCl: a theoretical study Journal of Molecular Structure: Theochem, 497 (1-3). pp. 157-163. ISSN 0166-1280

Roy, Ram Kinkar ; Hirao, Kimihiko ; Pal, Sourav (2000) On non-negativity of Fukui function indices. II Journal of Chemical Physics, 113 (4). pp. 1372-1379. ISSN 0021-9606

Kumar, Aparna Basu ; Vaval, Nayana ; Pal, Sourav (1999) An extended coupled-cluster functional for molecular properties: study of an analytical and numerical approach Chemical Physics Letters, 295 (3). pp. 189-194. ISSN 0009-2614

Ajitha, D. ; Pal, Sourav (1999) Dipole moments of open-shell radicals using an analytic linear response approach in the Fock space multi-reference coupled cluster method Chemical Physics Letters, 309 (5-6). pp. 457-462. ISSN 0009-2614

Deka, Ramesh Ch. ; Vetrivel, Rajappan ; Pal, Sourav (1999) Application of hard-soft acid-base principle to study bronsted acid sites in zeolite clusters: a quantum chemical study Journal of Physical Chemistry A, 103 (30). pp. 5978-5982. ISSN 1089-5639

Vaval, Nayana ; Pal, Sourav (1999) Molecular property calculations for excited states using a multireference coupled-cluster approach Chemical Physics Letters, 300 (1-2). pp. 125-130. ISSN 0009-2614

Vaval, Nayana ; Pal, Sourav (1999) Adiabatic states of ozone using Fock space multireference coupled cluster method Journal of Chemical Physics, 111 (9). pp. 4051-4055. ISSN 0021-9606

Ajitha, D. ; Vaval, Nayana ; Pal, Sourav (1999) Multireference coupled cluster based analytic response approach for evaluating molecular properties: some pilot results Journal of Chemical Physics, 110 (5). pp. 2316-2322. ISSN 0021-9606

Roy, Ram Kinkar ; Pal, Sourav ; Hirao, Kimihiko (1999) On non-negativity of Fukui function indices Journal of Chemical Physics, 110 (17). pp. 8236-8245. ISSN 0021-9606

Watanabe, Noboru ; Ten-no, Seiichiro ; Pal, Sourav ; Iwata, Suehiro ; Udagawa, Yasuo (1999) Size-extensive calculations of static structure factors from the coupled cluster singles and doubles model Journal of Chemical Physics, 111 (3). pp. 827-832. ISSN 0021-9606

Ajitha, D. ; Pal, Sourav (1999) Z-vector formalism for the Fock space multireference coupled cluster method: elimination of the response of the highest valence sector amplitudes Journal of Chemical Physics, 111 (9). pp. 3832-3836. ISSN 0021-9606

Ajitha, D. ; Pal, Sourav (1997) Time-dependent multireference coupled-cluster-based response approach for evaluating dynamic properties Physical Review A, 56 (4). pp. 2658-2664. ISSN 1050-2947

Krishnamurty, Sailaja ; Roy, Ram Kinkar ; Vetrivel, Rajappan ; Iwata, Suehiro ; Pal, Sourav (1997) The local hard-soft acid-base principle: a critical study Journal of Physical Chemistry A, 101 (39). pp. 7253-7257. ISSN 1089-5639

Ammal, S. Salai Cheettu ; Venuvanalingam, P. ; Pal, Sourav (1997) Lithium bonding interaction in H₂CY···LiF (Y = O,S) complexes: a theoretical probe Journal of Chemical Physics, 107 (11). pp. 4329-4336. ISSN 0021-9606

Bhaduri, Sumit ; Chatterjee, Abhijit ; Pal, Sourav ; Tawde, Shilpa ; Mukesh, Doble (1996) Molecular orbital calculations on [HRu₃(CO)₉(PhNCO)]^- and related clusters Proceedings of the Indian Academy of Sciences - Chemical Sciences, 108 (5). pp. 495-503. ISSN 0253-4134

Vaval, Nayana ; Pal, Sourav (1996) Stationary coupled-cluster approaches to molecular properties: a comparative study Physical Review A, 54 (1). pp. 250-258. ISSN 1050-2947

Pal, Sourav ; Chandra, A. K. ; Roy, R. K. (1996) Behaviour of operational hardness: a critical study Journal of Molecular Structure: Theochem, 361 (1-3). pp. 57-61. ISSN 0166-1280

Pal, Sourav ; Sabane, Sampada C. (1996) Correlated static-exchange interaction for electron-molecule scattering: case study for LiH and H₂ Journal of Chemical Physics, 104 (24). pp. 9779-9782. ISSN 0021-9606

Ghose, Keya B. ; Piecuch, Piotr ; Pal, Sourav ; Adamowicz, Ludwik (1996) State-selective multireference coupled-cluster theory: in pursuit of property calculation Journal of Chemical Physics, 104 (17). pp. 6582-6589. ISSN 0021-9606

Chandra, A. K. ; Pal, Sourav ; Limaye, Ajay C. ; Gadre, Shridhar R. (1995) Structure, energetics and bonding of diacetylene complexes with hydrogen fluoride. A theoretical investigation Chemical Physics Letters, 247 (1-2). pp. 95-100. ISSN 0009-2614

Roy, Ram Kinkar ; Pal, Sourav (1995) Chemical potential and hardness for open shell radicals: model for the corresponding anions Journal of Physical Chemistry, 99 (51). pp. 17822-17824. ISSN 0022-3654

Pal, Sourav ; Chandra, A. K. (1995) Some novel relationships of polarizability with dipole moments Journal of Physical Chemistry, 99 (38). pp. 13865-13867. ISSN 0022-3654

Pal, Sourav ; Ghose, Keya B. ; Meyer, Hans-Dieter (1995) Electron correlation effects in target molecule in low-energy e^- + N₂ scattering International Journal of Quantum Chemistry, 55 (3). pp. 291-297. ISSN 0020-7608

Chandra, A. K. ; Pal, Sourav (1995) Studies on diacetylene complexes with water and ammonia Chemical Physics Letters, 241 (4). pp. 399-403. ISSN 0009-2614

Roy, Ram Kinkar ; Chandra, A. K. ; Pal, Sourav (1995) Hardness as a function of polarizability in a reaction profile Journal of Molecular Structure: Theochem, 331 (3). pp. 261-265. ISSN 0166-1280

Roy, Ramkinkar ; Chandra, A. K. ; Pal, Sourav (1994) Correlation of polarizability, hardness, and electronegativity: polyatomic molecules Journal of Physical Chemistry, 98 (41). pp. 10447-10450. ISSN 0022-3654

Vaval, Nayana ; Ghose, Keya ; Nair, Priya ; Pal, Sourav (1994) Stationary coupled cluster response: role of cubic terms in molecular properties Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (2). pp. 387-392. ISSN 0253-4134

Pal, Sourav ; Roy, Ramkinkar ; Chandra, A. K. (1994) Change of hardness and chemical potential in chemical binding: a quantitative model Journal of Physical Chemistry, 98 (9). pp. 2314-2317. ISSN 0022-3654

Vaval, Nayana ; Roy, Ramkinkar ; Pal, Sourav (1994) Stationary multideterminantal coupled-cluster response Physical Review A, 49 (3). pp. 1623-1628. ISSN 1050-2947

Ghose, Keya Basu ; Pal, Sourav (1994) Influence of bond length variation on correlated static exchange potential: a case study in e^--N₂ scattering Journal of Chemical Physics, 100 (6). pp. 4712-4713. ISSN 0021-9606

Vaval, Nayana ; Ghose, Keya Basu ; Pal, Sourav (1994) Nonlinear molecular properties using biorthogonal response approach Journal of Chemical Physics, 101 (6). pp. 4914-4919. ISSN 0021-9606

Ghose, Keya B. ; Nair, Priya G. ; Pal, Sourav (1993) Implementation of a stationary coupled-cluster response method Chemical Physics Letters, 211 (1). pp. 15-19. ISSN 0009-2614

Pal, Sourav ; Vaval, Nayana ; Roy, Ramkinkar (1993) Principle of maximum hardness: an accurate ab initio study Journal of Physical Chemistry, 97 (17). pp. 4404-4406. ISSN 0022-3654

Chakrabarti, Pinak ; Pal, Sourav (1993) Difference in the energies of interactions at the binding sites in protein structures Chemical Physics Letters, 201 (1-4). pp. 24-26. ISSN 0009-2614

Ghose, Keya Basu ; Pal, Sourav ; Meyer, H. -D. (1993) Correlated static-exchange interaction calculation for e^-+N₂ scattering using the coupled cluster technique^a) Journal of Chemical Physics, 99 (2). pp. 945-949. ISSN 0021-9606

Pal, Sourav (1992) An open-shell coupled-cluster response method for static properties International Journal of Quantum Chemistry, 41 (3). pp. 443-452. ISSN 0020-7608

Pal, Sourav ; Ghose, Keya Basu (1992) Analysis of coupled-cluster methods for higher-order static properties Physical Review A, 45 (3). pp. 1518-1522. ISSN 1050-2947

Ghose, Keya Basu ; Pal, Sourav (1992) Multireference coupled cluster calculations on CH²⁺ Journal of Chemical Physics, 97 (5). pp. 3863-3864. ISSN 0021-9606

Ghose, Keya Basu ; Pal, Sourav (1991) Multiple perturbation approach: bounds to various order response Chemical Physics Letters, 187 (6). pp. 637-641. ISSN 0009-2614

Pal, Sourav (1990) Coupled-cluster response approach: improved variational strategy Physical Review A, 42 (7). pp. 4385-4387. ISSN 1050-2947

Pal, Sourav ; Rittby, Magnus ; Bartlett, Rodney J. (1989) Multi-reference coupled-cluster methods for ionization potentials with partial inclusion of triple excitations Chemical Physics Letters, 160 (2). pp. 212-218. ISSN 0009-2614

Pal, Sourav (1989) Linearized bivariational coupled-cluster approach: general scheme for derivation of static properties Physical Review A, 39 (5). pp. 2712-2714. ISSN 1050-2947

Pal, Sourav (1989) Multireference coupled-cluster response approach for the calculation of static properties Physical Review A, 39 (1). pp. 39-42. ISSN 1050-2947

Rittby, Magnus ; Pal, Sourav ; Bartlett, Rodney J. (1989) Multireference coupled-cluster method: ionization potentials and excitation energies for ketene and diazomethane Journal of Chemical Physics, 90 (6). pp. 3214-3220. ISSN 0021-9606

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

Basu-Ghose, Keya ; Pal, Sourav (1987) Bivariational coupled-cluster method: equations for first-order property Physical Review A, 36 (4). pp. 1539-1543. ISSN 1050-2947

Pal, Sourav (1986) Bivariational coupled-cluster approach for the study of static electronic properties^/emph> Physical Review A, 34 (4). pp. 2682-2686. ISSN 1050-2947

Pal, Sourav (1986) Analysis of coupled-cluster methods for first-order static properties Physical Review A, 33 (4). pp. 2240-2244. ISSN 1050-2947

Pal, Sourav (1985) Study of approximate coupled cluster methods for first-order static properties Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 68 (5). pp. 379-388. ISSN 1432-881X

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

Pal, Sourav (1984) Use of a unitary wavefunction in the calculation of static electronic properties Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 66 (3-4). pp. 207-215. ISSN 1432-881X

Pal, Sourav (1984) A variational method to calculate static electronic properties Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 66 (3-4). pp. 151-159. ISSN 1432-881X

Prasad, M. Durga ; Pal, Sourav ; Mukherjee, D. (1980) An alternative definition of the electron propagator in the superoperator form and its relation to linear response theory in a coupled-cluster framework Pramana - Journal of Physics, 15 (6). pp. 531-543. ISSN 0304-4289