Year – 2019
Electronic Structure Theory (Relativistic and Nonrelativistic)
135. Sinha Ray, S., Manna, S., Ghosh, A., Chaudhuri, R. K., and Chattopadhyay, S. (2019) “Multireference perturbation theory with improved virtual orbitals for multiradicals: More degeneracies and more problems” Int. J. Quantum Chem. 119, e25776.
134. Chattopadhyay, S. (2019) “Ab initio probing of the ground state of tetraradicals: Breakdown of Hund's rule” J. Phys. Chem. A 123, 2211-2226
133. Manna, S., Sinha Ray, S., Ghos, P., Chattopadhyay, S. (2019) “Structural properties and isomerization of simple S-nitrosothiols: Ab initio studies with a simplified treatment of correlation effects” Mol. Phys. (online); DOI: https://doi.org/10.1080/00268976.2019.1641639.
132. Chaudhuri, R. K., and Chattopadhyay, S. (2019) “Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinors" J. Chem. Phys. 151, 074114.
131. Manna, S., Sinha Ray, S., Ghos, P., Chattopadhyay, S. Chaudhuri, R. K., and (2019) “A simplified account of the correlation effects to bond breaking
processes: The Brillouin-Wigner perturbation theory using a multireference formulation” J. Chem. Phys. 151, 064114.
130. Chattopadhyay, S. (2019) “Simplified Treatment of Electronic Structures of the Lowest Singlet and Triplet States of Didehydropyrazines” J. Phys.
Chem. A 123, 5980.
129. Sharma, A., Chattopadhyay, S., and Sinha, D. (2019) “Investigations of the spectroscopic constants of , Main and Satellite, and states of ion through the window of eigenvalue independent partitioning: A Fock space coupled cluster approach” Int. J. Quantum Chem. (Communicated).
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
128. Das, J., Mapder, T., Chattopadhyay, S., Banik. S. K., (2019) “Parameter sensitivity in DevR regulated gene expression" PLOS ONE,(under review).
127. Mapder, T., Chattopadhyay, S., and Banik, S. (2019) “Stochastic study of information transmission and population stability in a generic bacterial
two-component system”, Royal Society Open Science, (Communicated).
Year – 2018
Electronic Structure Theory (Relativistic and Nonrelativistic)
126. Chaudhuri, S. K., Mukherjee, P. Chaudhuri R. K., and Chattopadhyay, S. (2018) “Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas”, Phys. Plasma 25, 042705.
125. Manna, S., Sinha Ray, S., Ghosh, P., Chattopadhyay, S. (2018) “On the conversion XCN ↔ XNC via an efficient and economic perturbative
wavefunction approach", Mol. Phys., 116, 2147.
124. Chattopadhyay, S. (2018) “ Description of quasidegenerate electronic states exhibiting avoided crossing”, Mol. Phys., 116, 1.
123. Chattopadhyay, S. (2018) "The effect of substituents on energy splitting in organic radicals : Quantitative cognizance from ab initio studies" ,
Chem. Phys. 530, 230.
Year – 2017
Electronic Structure Theory (Relativistic and Nonrelativistic)
122. Sinha Ray. S., Sinha Mahapatra, U., Chaudhuri, R. K. and Chattopadhyay, S. (2017) "Combined complete active space configuration
interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers", Computational and
Theoretical Chemistry, 1120, 56.
121. Ghosh. A., Sinha Ray, S., Chaudhuri, R. K., and Chattopadhyay, S. (2017) “Four-Component Relativistic State-Specific Multireference Perturbation
Theory with a Simplified Treatment of Static Correlation” J. Phys.Chem. A (Special Issue“Mark S. Gordon Festschrift”) 121, 1487-1501.”
120. Sinha Ray, S., Anirban Ghosh, A., Shit, A., Chaudhuri, R. K. and Chattopadhyay, S. (2017) "A simplified ab initio treatment of
diradicaloid structures produced from stretching and breaking chemical bonds", Physical Chemistry Chemical Physics, 19, 22282.
119. Sinha Ray, S., Chaudhuri, R. K., and Chattopadhyay, S. (2017) “Communication: Viewing the ground and excited electronic structures of platinum
and its ion through the window of relativistic coupled cluster method” The Journal of Chemical Physics 146, 011102 (1-5).
118. Sinha Ray, S., Manna, S., Chaudhuri, R. K., and Chattopadhyay, S. (2017) "Description of C2 dissociation using a naive treatment of dynamical
correlation in the presence of quasidegeneracy of varying degree” Mol. Phys. 115, 2789.
117. Sinha Ray, S., Ghosh, P., Chaudhuri, R. K., and Chattopadhyay, S. (2017) “Improved virtual orbitals in state specific multireference perturbation
theory for prototypes of quasidegenerate electronic structure” J.Chem. Phys.146, 064111.
116. Chaudhuri, S. K., Chaudhuri, R. K., Mukherjee, P. and Chattopadhyay, S. (2017) "A confinement induced spectroscopic study of noble gas atoms
using equation of motion architecture: Encapsulation within fullerene's voids" J.Chem. Phys. 147, 034111.
Year – 2016
Electronic Structure Theory (Relativistic and Nonrelativistic)
115. Chattopadhyay, S.,Chaudhuri, R. K., Mahapatra, U. S., Ghosh, A., and Sinha Ray, S.(2016) “State-specific multireference perturbation theory:
Development and present status” WIREs Comput Mol Sci 2016, 266–291 (Invited Advanced Review Article).
114. Banerjee, D.,Mondal, M., Chattopadhyay, S.,and Mahapatra, U. S.
(2016)”A state-specific multireference coupled cluster approach with a cost effective treatment of connected triples: Implementation to geometry
optimization” Mol. Phys. 114, 1591-1608.
113. Sinha Ray, S., Ghosh, A.,Chaudhuri, R. K., and Chattopadhyay, S. (2016) ”Taming the Electronic Structure of Diradicals Through the Window of
Computationally Cost Effective Multireference Perturbation Theory” J. Phys. Chem. A 120, 5897−5916
112. Ghosh, A., Chaudhuri, R. K., and Chattopadhyay, S. (2016)“Relativistic state‐specific multireference coupled cluster theory description for bond‐
breaking energy surfaces”J. Chem. Phys. 145, 124303 (1-15).
Year – 2015
Electronic Structure Theory (Relativistic and Nonrelativistic)
111. Chattopadhyay, S.,Chaudhuri, R. K., and Mahapatra, U. S. (2015) “State-specific multireference perturbation theory with improved virtual orbitals:
Revisiting the ground state of F2, Be2, and N2” J. Com. Chem. 36, 907-925.
110. Mahapatra, U. S., Banerjee, D., Chaudhuri, R. K., and Chattopadhyay, S. (2015) “Profiling the binding motif between Be and Mg in the ground state
via a single-reference coupled cluster method” Mol. Phys. 113, 1387-1395.
109. Sharma, A., Chattopadhyay, S., Adhikari, K., and Sinha, D., (2015) “Spectroscopic constants relating to ionization from the strongest bonding and
inner valence molecular orbital 2σg of N2 : An EIP-VUMRCC search” Chem. Phys. Lett. 634, 88–94
108. Ghosh, A., Chaudhuri, R. K., Chattopadhyay, S. and Mahapatra, U. S. (2015)“Relativistic state-specific multireference perturbation theory
incorporating improved virtual orbitals: Application to theground state single-bond dissociation”J. Com. Chem. 36, 1954-1972
107. Chattopadhyay, S.,Chaudhuri, R. K., and Mahapatra, U. S., Ghosh, A., Sinha Ray, S.(2015) “State-specific multireference perturbation theory:
Development and present status” WIREs Computational Molecular Science(Invited Review Article)
106. Banerjee, D.,Mondal, M., Chattopadhyay, S.,and Mahapatra, U. S.(2015) ”A state-specific multireference coupled cluster approach with a cost
effective treatment of connected triples: Implementation to geometry optimization” Mol. Phys. (Published on Line).
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
105. Sarkar, P., Shit, A., Chattopadhyay, S., and Banik, S. (2015) “Profiling the overdamped dynamics of a nonadiabatic system”Chemical Physics 458, 86–
91.
104. Mapder, T., Talukdar, S., Chattopadhyay, S., and Banik, S. (2015) “Deciphering parameter sensitivity in the BvgAS signal transduction” PLoSComput
Biol. (In Press).
Year – 2014
Electronic Structure Theory (Relativistic and Nonrelativistic)
103. Mohan, P. Mangalam, A. Chattopadhyay, S., (2014) “Parametric models of the periodogram” J. Astrophysics & Astronomy, Special Issue (Proceedings of a meeting entitled “Variability of Blazars: From Jansky to Fermi” held in Guangzhou, China, December 14–16, 2012)Edited by J. H. Fan, Y. Liu, A. C.
Gupta, & Z. Q. Shen.
102. Mahapatra, U. S and Chattopadhyay, S.(2014) “Binding in Beryllium Dimer: Contingent on the effects of electron correlations” Science Journal, MAC.
101. Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K. (2014)“Dissociation of homonuclear diatomic halogens via Multireference coupled cluster
study” Mol. Phys.112, 2720DOI:10.1080/00268976.2014.906675
100. Banerjee, D. Ghosh., A. Chattopadhyay, S., Ghosh, P. and Chaudhuri, R. K. (2014)“Reinvestigating the ``cis-effect" in 1,2-difluoro derivatives of
ethylene and diazene using abinitiomultireference method” Mol. Phys.1123206.
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
99. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2014) “Taming the escape dynamics of nonadiabatic time-periodically driven quantum dissipative
system within the frame of Wigner formalism” Chem. Phys. 431 26.
98. Sarkar, P., Maity, K. A., Shit, A., Chattopadhyay, S., Banik, S. K.,andRay Chaudhuri, J. (2014) “Controlling mobility via rapidly oscillating time-periodic
stimulus” Chem. Phys. Lett. 602, 4
Year – 2013
Electronic Structure Theory (Relativistic and Nonrelativistic)
97. K. Adhikari, S. Chattopadhyay, B. K. De, A. Sharma, R. K. Nath,and D. Sinha (2013) “Search of truncation of (N-1) electron basis containing full
connected triple excitationsin computing main and satellite ionization potentials via Fock space coupled cluster approach” J. Comp. Chem. 34, 1291.
96. Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra (2013) “Theoretical studies of the ground and excited state structures of stilbene” J.
Phys. Chem. A 117, 9424.Invited ArticleinSpecial Issue: “Oka Festschrift: Celebrating 45 Years of Astrochemistry”
95. Chaudhuri, R. K.Chattopadhyay, S., andMahapatra, U. S. (2013), “Taming the electronic structure of lead and eka-lead (Flerovium) by the relativistic
coupled-cluster method”J. Phys. Chem. A 117, 8555. Invited Article in Special Issue: “Structure and Dynamics: ESDMC-2013”
94. Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S (2013) “Reappraisal of nuclear quadrupole moments of atomic halogens via relativistic
coupled cluster linear response theory for the ionized process” J. Phys. Chem. A 117, 12616.
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
93. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2013)“Kapitza-Landau time window for a periodically driven system with friction: A system-bath
Hamiltonian approach”Eur. J. Phys. B 86, 23.
92. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2013) “Quantum stochastic dynamics in presence of a time-periodic rapidly oscillating potential:
Nonadiabatic escape rate”J. Phys. Chem. A 117, 8576. Invited Article in Special Issue: “Structure and Dynamics: ESDMC-2013” .
91. Maity, A. K.,Bandyopadhyay, A.,Chattopadhyay, S.,RayChaudhuri, J. Metzler, R., Chaudhuri,P.andBanik, S. K. (2013) “Quantification of noise in bi-
functionality induced post-translational modification” Phys. Rev. E. 88, 032716 (2013).
Year – 2012
Electronic Structure Theory (Relativistic and Nonrelativistic)
90. Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K., (2012) “State specific multireferenceMøller--Plesset perturbation theory: A few
applications to ground, excited and ionized states” Chem. Phys.401, 15. Invited Article for Special Issue on “Recent advances in electron correlation
methods and applications”.
89. Mahapatra, U. S and Chattopadhyay, S. (2012) “Single reference coupled cluster calculations for weakly bound alkaline-earth dimers in the ground
state: a useful perturbative scheme for an iterative triples correction”Mol. Phys. 110, 75.
88. Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K. (2012)“State specific complete active space multireferenceMøller-Plesset perturbation
approach for multireferencesituations:Illustrating the bond breaking in hydrogen halides” Theo. Chem. Acc.131, 1213.
87. Mahapatra, U. S and Chattopadhyay, S.(2012) “Diagnosis of the performance of the state-specific multireference coupled-cluster method with
different truncation schemes” J. Comp. Chem. 33, 1285.
86. Das, M.,Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S (2012) “Application of relativistic Fock space coupled cluster theory to study
Li and Li-like ions in plasma” Phys. Rev. A 85, 042506.
85. Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra (2012) “Theoretical aids in screening candidates for atomic clocks: illustration for Yb
II” EuroPhysicsLett.98, 23002.
84. Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra (2012) “Spectral lines behavior of Be I and Na I isoelectronic sequence in Debye
plasma environment” Phys. Plasmas 19, 082701
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
83. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2012) “Enhancement of Transport Properties of a Brownian Particle due to Quantum Effects:
Smoluchowski limit” Chem. Phys.397, 48.
82. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2012) “Quantum escape in the presence of time-periodic oscillating force” Europhys Letters 97,
40006
81. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2012) “Time-independent description of rapidly driven systems in the presence of friction: Multiple
scale perturbation approach” Chaos 22, 013131.
80. Ghosh P, Chattopadhyay, S., andRayChaudhuri, J (2012)“Enhancement of current commensurate with mutual noise-noise correlation in a symmetric
periodic substrate: The benefits of noise and nonlinearity” Chem. Phys. 402, 48
79. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2012) “Escape rate for a quantum particle moving in a time periodic rapidly oscillating potential: A
time independent approach” Phys. Rev. E 85, 051102.
78. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2012) “Kramers turnover in class of thermodynamically open systems: Effect of interplay of
nonlinearity and noises” Chem. Phys. Lett. 543, 173.
77. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2012) “Controlling activated processes of nonadiabatically, periodically driven dynamical systems: A
multiple scale perturbation approach” J. Chem. Phys. 136, 234506
Year – 2011
Electronic Structure Theory (Relativistic and Nonrelativistic)
76. Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K., (2011) “Second-order state-specific multireferenceMøller–Plesset perturbation theory (SS-
MRMPPT): Application to energy surfaces of diimide, ethylene, butadiene and cyclobutadiene” J. Comp. Chem.32, 325.
75.Chattopadhyay, S., Chaudhuri, R. K. and Freed, K. (2011) “Geometry optimization of radicaloid systems using improved virtual orbital-complete
active space configuration interaction (IVO-CASCI) analytical gradient method” J. Phys. Chem. A115, 3665 (Invited Article, Part of the “Graham R.
Fleming Festschrift” Issue.).
74. Mahapatra, U. S and Chattopadhyay, S. (2011) “Evaluation of the performance of single root multireference coupled cluster (sr-MRCC) method for
ground and excited states, and its application to geometry optimization” J. Chem. Phys.134, 044113.
73. Chattopadhyay, S., Chaudhurib R. K. andFreedR. K. (2011) “Prediction of electronic structure of organic radicaloid anions using efficient, economical
multireference gradient approach” Phys. Chem. Chem. Phys., 13, 7514
72. Das, M.,Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S (2011) “Valence universal multireference coupled cluster calculations of the
properties of Indium in its ground and excited states” J. Phys. B: At. Mol. Opt. Phys. 44065003.
71. Mahapatra, U. S and Chattopadhyay, S. (2011) “Application of the uncoupled state-specific multireference coupled cluster (UC-SSMRCC) method to a
weakly bonded system: exploring the ground state Be2.J. Phys. B: Atomic, Molecular and Optical Physics 44, 105102.
70. Das, M.,Chaudhuri, R. K., Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, P. K., (2011) “Application of relativistic coupled cluster linear response
theory to helium likeions embedded in plasma environment” J. Phys. B: Atomic, Molecular and Optical Physics44165701.
69. Chaudhuri, R. K., Chattopadhyay, S., K. F. Freed,andMahapatra, U. S. (2011) “Application of an efficient multireference approach to free-baseporphin
and metalloporphyrins: Ground, excited, and positive ion states” J. Chem. Phys.135, 084118.
68. Chattopadhyay, S., Chaudhuri, R. K., and Mahapatra, U. S. (2011)“Ab initio multireference investigation of disjoint diradicals: Singlet versus triplet
ground states” Chem. Phys. Chem. 12, 2791
67. Das, M.,Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S (2011) “Fock space multireference coupled cluster calculations of the hyperfine
structure of iso-electronic33S- and 35,37 Cl” Phys. Rev. A. 84, 042512
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
66. Ghosh, P., Shit, A., Chattopadhyay, S.,andRayChaudhuri, J (2011) “A semiclassical approach to explore the bistable kinetics investigation of a
Brownian particle in a nonequilibrium environment” J. Stat. Mech.P02026(2011) doi:10.1088/1742-5468/2011/02/P02026.
65. Ghosh, P., Shit, A.,Chattopadhyay, S., and Ray Chaudhuri, J (2011) “A microscopic model for noise induced transport: Heat bath nonlinearly driven by
external white noise” Chaos 21, 013117.
64. Shit, A., Ghosh, P.,Chattopadhyay, S.,andRayChaudhuri, J (2011) “Development of a semiclassicalmethodto compute mobility and diffusion
coefficient of Brownian particle in a nonequilibrium environment” Phys. Rev. E. 83, 031125.
63. Shit, A., Bhattacharya, S., Chattopadhyay, S., and Ray Chaudhuri, J (2011) “A semi-classical approach to study multiplicative noise induced rate
processes from a metastable state” Physica A 390 2880.
62. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2011) “Towards an understanding of escape rate and state dependent diffusion for a quantum
dissipative system” Chem. Phys. 386, 56.
61. Shit, A., Chattopadhyay, S. andRayChaudhuri, J. (2011) “Effective quantum Brownian dynamics in presence of a rapidly oscillating space-dependent
time-periodic field” Phys. Rev. E (Rapid Communication) 83060101(R).
60. Bhattacharya, S., Chattopadhyay, S., Chaudhury, P., andRayChaudhuri, J (2011) “Phase induced transport of a Brownian particle in a periodic
potential in the presence of an external noise: A semiclassical treatment” J. Math. Phys.52, 073302.
Year – 2010
Electronic Structure Theory (Relativistic and Nonrelativistic)
56. Mahapatra, U. S. and Chattopadhyay, S. (2010) “State specific calculation of dissociation potential energy curve using multireference perturbation
theory” in “Recent Advances in Spectroscopy: Astrophysical, Theoretical and Experimental Perspective” (Springer, Heidelberg).
55. Chaudhuri, R. K., Chattopadhyay, S.,Mahapatra, U. S. and Freed, K. (2010) “Molecular applications of analytical gradient approach for the improved
virtual orbital-complete active space configuration interaction method” J. Chem. Phys.132, 034105.
54. Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K. (2010) “Study of the ground state dissociation of diatomic molecular systems using state-
specific multireference perturbation theory: A Brillouin-Wigner scheme” J. Chem. Theo. Comp.6, 662.
53. Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K., (2010) “Second-Order State-Specific MultireferenceMøller-Plesset Perturbation Theory (SS-
MRMPPT) Applied to Geometry Optimization” J. Phys. Chem. A, 114, 3668
52. Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K., (2010) “Study of equilibrium geometries of diradicaloid systems via state specific
multireferenceMøller-Plesset perturbation theory (SS-MRMPPT)” Chem. Phys. Lett.488, 229
51. Chattopadhyay, S., Chaudhuri, R. K. and Mahapatra, U. S, (2010) “Studies on m-benzyne and phenol via improved virtual orbital complete active
space configuration interaction (IVO-CASCI) analytical gradient method” Chem. Phys. Lett.491, 102.
50. Mahapatra, U. S. and Chattopadhyay, S.(2010) “Potential energy surface studies via a single root multireference coupled cluster theory” J. Chem.
Phys.133, 074102.
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
49. Ray Chaudhuri, J. and Chattopadhyay, S.(2010) “Kubo Oscillator and its Application to Stochastic Resonance: a Microscopic Realization” in “Recent
Advances in Spectroscopy: Astrophysical, Theoretical and Experimental Perspective” (Springer, Heidelberg).
48. Ghosh. P., Chattopadhyay, S.andRayChaudhuri, J. (2010) “Stochastic resonance in a generalized quantum Kubo Oscillator” J. Phys. Chem.B. 1141368.
47. Shit, A., Chattopadhyay, S.Banik, S. K.andRayChaudhuri, J (2010) “Generalized Einstein relation in tilted periodic potential: A Semiclassical approach”
J. Phys. Chem. B.114, 7854.
46. Ghosh, P., Shit, A., Chattopadhyay, S.andRayChaudhuri, J. (2010) “Escape of a driven particle from a metastable state: A semiclassical approach” J.
Chem. Phys.132, 244506.
45. Ghosh, P., Shit, A., Chattopadhyay, S.andRayChaudhuri, J. (2010) “Realization of a Brownian engine to study transport phenomena: A semiclassical
approach” Phys. Rev. E81 061112.
44. Shit, A., Chattopadhyay, S.Banik, S. K.andRayChaudhuri, J. (2010) “Microscopic realization of cross-correlated noise processes”, Chaos20, 023130.
43. Ghosh. P., Shit, A., Chattopadhyay, S.andRayChaudhuri, J. (2010) “External noise driven bath and the generalized semi-classical Kramers theory”
Phys. Rev. E 82, 041113.
Year – 2009
Electronic Structure Theory (Relativistic and Nonrelativistic)
42. Chattopadhyay, S. Mahapatra, U. S.andChaudhuri, R. K. (2009) “Investigation of low-lying states of oxygen via second order multi-reference
perturbation theory: A state-specific approach” J. Phys. Chem. A113, 5972.
41. Adhikari, K., Chattopadhyay, S.,Nath, R. K., De, B. K. and Sinha. D., (2009) “Effect of three body transformed Hamiltonian ( 3T) through full connected
triples on main and satellite ionization potentials computed by valence universal EIP-MRCC method” Chem. Phys. Lett. 474, 199.
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
40. Ray Chaudhuri, J, Chaudhuri, P. and Chattopadhyay, S.(2009) “Harmonic Oscillator in Presence of Non-equilibrium Environment” J. Chem. Phys. 130,
234109.
39. Bhattacharya, S. Chattopadhyay, S andRay Chaudhuri, J. (2009) “Investigation of noise- induced escape rate: A quantum mechanical approach” J.
Stat. Phys. 136, 733.
38. Ray Chaudhuri, J. and Chattopadhyay, S.(2009) “Microscopic realization of Kubo Oscillator” Chem. Phys. Let.,480,140 .
37. Bhattacharya, S., Chaudhuri, P., Chattopadhyay, S andRay Chaudhuri, J. (2009) “Quantum transport in a periodic symmetric potential of a driven
quantum system” Phys. Rev. E80, 041127.
Year – 2008
Electronic Structure Theory (Relativistic and Nonrelativistic)
36. Chaudhuri, R. K., Freed, K. Chattopadhyay, S., andMahapatra, U. S, (2008) “Potential energy curve for isomerization of N2H2 and C2H4 using the
improved virtual orbital multireferenceMøller–Plesset perturbation theory” J. Chem. Phys.128, 144304.
35. Mahapatra, U. S, Chattopadhyay, S. and Chaudhuri, R. K. (2008) “Molecular applications of state-specific multi-reference perturbation theory to HF,
H2S, C2 and N2” J. Chem. Phys, 129, 024108
34. Chaudhuri, R. K., Hammond J., Freed, K. Chattopadhyay, S. and Mahapatra, U. S, (2008) “Reappraisal of cis effect in 1,2-dihaloethenes: An improved
virtual orbital (IVO) multi-reference approach” J. Chem. Phys.129, 064101.
33. Mahapatra, U. S, Chattopadhyay, S. and Chaudhuri, R. K. (2008) “Application of state-specific multi-reference Møller-Plesset perturbation theory to nonsinglet states” J. Chem. Phys.129, 244108.
32. Chattopadhyay, S., Chaudhuri, R. K. and Mahapatra, U. S, (2008) “Application of improved virtual orbital based multireference methods to N2, LiF,
and C4H6 systems” J. Chem. Phys.130, 014101.
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
31. Ray Chaudhuri, J., Chattopadhyay, S. and Banik, S. K. (2008) “Multiplicative correlated noise induced escape rate from a metastable state” J. Chem.
Phys.128, 154513.
30. Bhattacharya, S., Banik, S. K., Chattopadhyay, S. and Ray Chaudhuri, J.(2008) “Time dependent current in a nonstationary environment: A
microscopic approach” J. Math. Phys.49,063302.
29. Bhattacharya, S., Chaudhuri, P. Chattopadhyay, S. andRay Chaudhuri, J. (2008) “Directed motion in a periodic potential of a quantum system coupled
to a heat bath driven by a colored noise” Phys. Rev. E78, 021123.
28. Bhattacharya, S., Chaudhuri, P. Chattopadhyay, S. andRay Chaudhuri, J. (2008) “Phase induced current in presence of non-equilibrium bath: A
quantum approach”, J. Chem. Phys. 129, 124708.
27. Chaudhuri, P. Mukherjee, B. Chattopadhyay, S. andRay Chaudhuri, J. (2008) “Effect of correlated noises on directed motion”, Phys. Chem. Chem.
Phys. 10 6097.
26. Ray Chaudhuri, J, Banik, S. K., Chattopadhyay, S. andChaudhuri, P. (2008) “Transport and bistable kinetics of a Brownian particle in a nonequilibrium
environment” J. Math. Phys.49, 113303.
Year – 2007
Electronic Structure Theory (Relativistic and Nonrelativistic)
25. Chattopadhyay, S. and Mukhopadhyay, D. (2007) “Applications of Linear Response Theories to Compute the Low-lying Potential Energy Surfaces:
State-specific MRCEPA-based Approach” J. Phys. B. 40, 1787–1799.
24. Chattopadhyay, S.,Mahapatra, U. S.andChaudhuri R. K., (2007) “Study of isolated 1:1 Al+3.He complex using many-body perturbation theory: A multi-
reference approach” Indian J. Phys. 81, 1023-1037. [Invited Article]
Statistical Mechanics (Equilibrium and Non- equilibrium Aspects)
23. Ray Chaudhuri, J., Chattopadhyay, S. and Banik, S. K. (2007) “Generalization of escape rate from a metastable state driven by external cross-
correlated noise processes” Phys. Rev. E. 76, 021125-8.
22. Ray Chaudhuri, J., Chattopadhyay, S. and Banik, S. K. (2007) “Simple model for transport phenomena: Microscopic construction of Maxwell Demon
like engine” J. Chem. Phys. 127, 224508.
Year – 2006
Electronic Structure Theory (Relativistic and Nonrelativistic)
21. Pahari, D., Ghosh, P., Mukherjee, D. and Chattopadhyay, S. (2006) “Towards the Development and Applications of Manifestly Spin-free Multi-
reference Coupled Electron-pair Approximation (MRCEPA) like Methods: A State Specific Approach” Theor. Chem. Acc. 116, 621-636.
20. Nayak, M. K., Chaudhuri R. K., Chattopadhyay, S. and Mahapatra, U. S. (2006) “Core and Core-valence Extensive Coupled Cluster Theory and its
Applications” J. Mol. Struct. (Theochem)768, 133-140.
19. Chattopadhyay, S., Mitra, A. and Sinha, D. (2006) “An Explicitly Intruder Free Valence-Universal Multi-reference Coupled Cluster (VUMRCC) Theory as
Applied to Ionization Spectroscopy” J. Chem. Phys., 125, 244111-17.
Year – 2005
Electronic Structure Theory (Relativistic and Nonrelativistic)
18. Chaudhuri, R. K., Freed, K. F., Hose, G., Piecuch, P., Chattopadhyay, S., Mukherjee, D.,Rolik, Z., Szabados, A. and Surjan, P. R. (2005) “Comparison of
Low Order Multireference Many-body Perturbation Theories” J. Chem. Phys.,122, 134105-9.
17. Chattopadhyay, S., Pahari, D., Mahapatra, U. S. and Mukherjee, D. (2005): “Computation of Excited States Potential Energy Surface via Linear
Response Theories based on State-specific Multi-reference Coupled Electron-pair Approximation like Methods” in Computational Chemistry:
Reviews of Current Trends, Ed. J. Leszcynski (World Scientific, Singapore, New Jersey) 121-151.
16. Pahari, D., Chattopadhyay, S., Das, S., Mukherjee, D. and Mahapatra U. S. (2005): “Size-consistent State-specific Multi-reference Methods: A Survey of
Some Recent Developments” in Theory and Applications of Computational Chemistry: The First40 Years,Ed. C. F. Dykstra, et. al (Elsevier), 581-633.
15. Bera N., Ghosh S., Mukherjee D. and Chattopadhyay S. (2005) “Reappraisal of the Role of Size-extensive Normalization for Multi-reference Coupled-
Cluster (MRCC) Theory using General Model Space: A Valence Universal MRCC Approach” J. Phys. Chem.A,109, 11462-11469.
Year – 2004
Electronic Structure Theory (Relativistic and Nonrelativistic)
14. Chattopadhyay, S.,Pahari, D., Mahapatra, U. S. and Mukherjee, D. (2004): “A State-specific Approach to Multi-reference Coupled Electron-pair
Approximation like Methods: Development and Applications”, J. Chem. Phys., 120, 5968-5986.
13. Pahari, D., Chattopadhyay, S., Deb, A. and Mukherjee, D. (2004): “An Orbital invariant Coupled Electron-pair like Approximant to a State-specific
Multi-reference Coupled Cluster Formalism”, Chem. Phys. Lett., 386, 307-312.
12. Chattopadhyay, S. (2004) “Numerically Oriented Static Response Approach Based on State-specific Multi-reference Coupled Electron-pair
Approximation (SS-MRCEPA) like Methods” J. Phys. B, 37, 1783-1801.
11. Chattopadhyay, S. and Mahapatra, U. S. (2004): “Molecular Applications of State-specific Multi-reference Coupled Electron-pair Approximation (SS-
MRCEPA)-like Method” J. Phys. Chem A, 108, 11664-11678.
Year – 1999-2003
Electronic Structure Theory (Relativistic and Nonrelativistic)
10. Chattopadhyay, S.,Mahapatra, U. S. and Mukherjee, D. (1999): “Property Calculations using Perturbed Orbitals via State-specific Multireference
Coupled Cluster and Perturbation Theories”,J. Chem. Phys.,111, 3820-3831.
9. Chattopadhyay, S., Mahapatra, U. S. and Mukherjee, D. (1999): “Response Theories Based on a State-specific Multireference Coupled Cluster
Formalism”, in Recent Advances in Multireference Methods, Ed. K. Hirao (World Scientific, Singapore) 65-93.
8. Chattopadhyay, S.,Mahapatra, U. S. and Mukherjee, D. (2000): “Development of a Linear Response Theory Based on a State-specific Multireference
Coupled Cluster Formalism”, J. Chem. Phys.,112, 7939-7952.
7. Chattopadhyay, S.,Mahapatra, U. S. and Mukherjee, D. (2000): “Linear Response Theories for Excited State Energies for Systems with Strongly
Correlated Ground State”, Ind. J. Chem. A (Special Issue on Contemporary Theoretical Chemistry Research in India),39, 1-8.
6. Chattopadhyay, S.,Mahapatra, U. S., Ghosh, P. and Mukherjee, D. (2002): “State-specific Multi-reference Coupled-cluster Based Methods for PES
and their Approximate Variants”, in Low-Lying Potential Energy Surfaces, M. R. Hoffmann and K. G. Dyall Eds. (ACS Symposium Series No. 828,
Washington, DC) 109-152.
5. Chattopadhyay, S.,Mahapatra, U. S., Datta, B. and Mukherjee, D. (2002): “State-specific Multireference Coupled Electron-pair Approximation Like
Methods: Formulation and Molecular Applications”, Chem. Phys. Lett.,357, 426.
4. Chattopadhyay, S.,Mitra, A., Jana, D., Ghosh, P. and Sinha, D. (2002): “Full Effects of Triples in a Valence Universal Multi-reference Coupled Cluster
Calculations”,Chem. Phys. Lett., 361,298-306.
3. Ghosh, P., Chattopadhyay, S., Jana, D. and Mukherjee, D. (2002): “State-specific Multi-reference Perturbation Theories with Relaxed Coefficients:
Molecular Applications”, Int. J. Mol. Sci.,3, 733-754.
2. Pahari, D., Chattopadhyay, S., Das, S. and Mukherjee, D. (2003): “Size extensive State-specific Multi-reference Many-body Approach using Incomplete
Model Spaces” Chem. Phys. Lett., 381, 223-229.
1. Chattopadhyay, S., Ghosh, P., and Mahapatra, U. S. (2003) “Applications of Size-consistent State-specific Multireference Coupled Cluster (SS-MRCC)
Theory to Study the Potential Energy Curves of Some Interesting Molecular Systems”, J. Phys. B. 37, 495-510.