Prof. Sudip Kumar Chattopadhyay, Department of Chemistry

• Developments and implementations of many-electron methods
• Electronic structure, properties and spectra
• Atomic Physics in Plasma
• Stochastic processes
• Non-equilibrium aspects of chemical dynamical in condensed phases

Year :2014

Electronic Structure Theory (Relativistic and Nonrelativistic):

• Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K. (2014) “Dissociation of homonuclear diatomic halogens via Multireference coupled cluster study” Mol. Phys. (In Press). DOI:10.1080/00268976.2014.906675
• Banerjee, D. Ghosh., A. Chattopadhyay, S., and Ghosh, P. (2014) “Reinvestigating the ``cis-effect" in 1,2-difluoro derivatives of ethylene and diazene using ab initio multireference method” Mol. Phys. (In Press).

Statistical Mechanics (Equilibrium and Non- equilibrium Aspects):

• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2014) “Taming the escape dynamics of nonadiabatic time-periodically driven quantum dissipative system within the frame of Wigner formalism” Chem. Phys. 431, 26.
• Sarkar, P., Maity, K. A., Shit, A., Chattopadhyay, S., Banik, S. K., and Ray Chaudhuri, J. (2014) “Mobility on a periodic symmetric substrate in Kapitza-Landau stratified media” Chem. Phys. Lett. 602, 4

Year :2013

Electronic Structure Theory (Relativistic and Nonrelativistic):

• Adhikari, K., Chattopadhyay, S., De, B. K., Sharma, A., Nath, R. K. and Sinha D. (2013) “Search of truncation of (N-1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via Fock space coupled cluster approach” J. Comp. Chem. 34, 1291.
• Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., Mahapatra, U. S. (2013) “Theoretical studies of the ground and excited state structures of stilbene” J. Phys. Chem. A 117, 9424. Invited Article in Special Issue: “Oka Festschrift: Celebrating 45 Years of Astrochemistry”
• Chaudhuri, R. K. Chattopadhyay, S., and Mahapatra, 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”
• 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.
• Mohan, P. Mangalam, A. Chattopadhyay, S., (2013) “Parametric models of the periodogram” J. Astrophysics & Astronomy, Special Issue Edited by J. H. Fan, Y. Liu, A. C. Gupta, & Z. Q. Shen.
• Mahapatra, U. S and Chattopadhyay, S. (2013) “Binding in Beryllium Dimer: Contingent on the effects of electron correlations” Science Journal, MAC..

Statistical Mechanics (Equilibrium and Non- equilibrium Aspects):

• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2013) “Kapitza-Landau time window for a periodically driven system with friction: A system-bath Hamiltonian approach” Eur. J. Phys. B 86, 23.
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, 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” .
• Maity, A. K., Bandyopadhyay, A., Chattopadhyay, S., Ray Chaudhuri, J. Metzler, R., Chaudhuri, P. and Banik, 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):

• Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K., (2012) “State specific multireference Møller--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”.
• 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.
• Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K. (2012) “State specific complete active space multireference Møller-Plesset perturbation approach for multireference situations:Illustrating the bond breaking in hydrogen halides” Theo. Chem. Acc. 131, 1213.
• 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.
• 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.
• Chaudhuri, R. K., Chattopadhyay, S., Freed K. F., U. S. Mahapatra (2012) “Theoretical aids in screening candidates for atomic clocks: illustration for Yb II” EuroPhysics Lett. 98, 23002.
• 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):

• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2012) “Enhancement of Transport Properties of a Brownian Particle due to Quantum Effects: Smoluchowski limit” Chem. Phys. 397, 48.
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2012) “Quantum escape in the presence of time-periodic oscillating force” Europhys Letters 97, 40006
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2012) “Time-independent description of rapidly driven systems in the presence of friction: Multiple scale perturbation approach” Chaos 22, 013131.
• Ghosh P, Chattopadhyay, S., and Ray Chaudhuri, 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
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, 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.
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2012) “Kramers turnover in class of thermodynamically open systems: Effect of interplay of nonlinearity and noises” Chem. Phys. Lett. 543, 173.
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, 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):

• Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K., (2011) “Second-order state-specific multireference Møller–Plesset perturbation theory (SS-MRMPPT): Application to energy surfaces of diimide, ethylene, butadiene and cyclobutadiene” J. Comp. Chem. 32, 325.
• 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. A 115, 3665 (Invited Article, Part of the “Graham R. Fleming Festschrift” Issue.).
• 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.
• Chattopadhyay, S., Chaudhurib R. K. and Freed R. K. (2011) “Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach” Phys. Chem. Chem. Phys., 13, 7514
• 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. 44 065003.
• 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
• 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 like ions embedded in plasma environment” J. Phys. B: Atomic, Molecular and Optical Physics 44 165701.
• Chaudhuri, R. K., Chattopadhyay, S., K. F. Freed, and Mahapatra, U. S. (2011) “Application of an efficient multireference approach to free-base porphin and metalloporphyrins: Ground, excited, and positive ion states” J. Chem. Phys. 135, 084118.
• 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
• Das, M., Chaudhuri, R. K., Chattopadhyay, S., and Mahapatra, U. S (2011) “Fock space multireference coupled cluster calculations of the hyperfine structure of iso-electronic 33S- and 35,37 Cl” Phys. Rev. A. 84, 042512

Statistical Mechanics (Equilibrium and Non- equilibrium Aspects):

• Ghosh, P., Shit, A., Chattopadhyay, S., and Ray Chaudhuri, 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.
• 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.
• Shit, A., Ghosh, P., Chattopadhyay, S., and Ray Chaudhuri, J (2011) “Development of a semiclassical method to compute mobility and diffusion coefficient of Brownian particle in a nonequilibrium environment” Phys. Rev. E. 83, 031125.
• 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.
• Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2011) “Effective quantum Brownian dynamics in presence of a rapidly oscillating space-dependent time-periodic field” Phys. Rev. E (Rapid Communication) 83 060101(R).
• Bhattacharya, S., Chattopadhyay, S., Chaudhury, P., and Ray Chaudhuri, 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. 42, 073302.

Year :2010

Electronic Structure Theory (Relativistic and Nonrelativistic):

• 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).
• 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.
• 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.
• Mahapatra, U. S., Chattopadhyay, S. and Chaudhuri, R. K., (2010) “Second-Order State-Specific Multireference Møller-Plesset Perturbation Theory (SS-MRMPPT) Applied to Geometry Optimization” J. Phys. Chem. A, 114, 3668
• Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri, R. K., (2010) “Study of equilibrium geometries of diradicaloid systems via state specific multireference Møller-Plesset perturbation theory (SS-MRMPPT)” Chem. Phys. Lett. 488, 229
• 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.
• 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):

• 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).
• Ghosh. P., Chattopadhyay, S. and Ray Chaudhuri, J. (2010) “Stochastic resonance in a generalized quantum Kubo Oscillator” J. Phys. Chem. B. 114 1368.
• Shit, A., Chattopadhyay, S. Banik, S. K. and Ray Chaudhuri, J (2010) “Generalized Einstein relation in tilted periodic potential: A Semiclassical approach” J. Phys. Chem. B. 114, 7854.
• Ghosh, P., Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2010) “Escape of a driven particle from a metastable state: A semiclassical approach” J. Chem. Phys. 132, 244506.
• Ghosh, P., Shit, A., Chattopadhyay, S. and Ray Chaudhuri, J. (2010) “Realization of a Brownian engine to study transport phenomena: A semiclassical approach” Phys. Rev. E 81 061112.
• Shit, A., Chattopadhyay, S. Banik, S. K. and Ray Chaudhuri, J. (2010) “Microscopic realization of cross-correlated noise processes”, Chaos 20, 023130.
• Ghosh. P., Shit, A., Chattopadhyay, S. and Ray Chaudhuri, 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):

• Chattopadhyay, S. Mahapatra, U. S. and Chaudhuri, R. K. (2009) “Investigation of low-lying states of oxygen via second order multi-reference perturbation theory: A state-specific approach” J. Phys. Chem. A 113, 5972.
• 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):

• Ray Chaudhuri, J, Chaudhuri, P. and Chattopadhyay, S. (2009) “Harmonic Oscillator in Presence of Non-equilibrium Environment” J. Chem. Phys. 130, 234109.
• Bhattacharya, S. Chattopadhyay, S and Ray Chaudhuri, J. (2009) “Investigation of noise- induced escape rate: A quantum mechanical approach” J. Stat. Phys. 136, 733.
• Ray Chaudhuri, J. and Chattopadhyay, S. (2009) “Microscopic realization of Kubo Oscillator” Chem. Phys. Let., 480, 140 .
• Bhattacharya, S., Chaudhuri, P., Chattopadhyay, S and Ray Chaudhuri, J. (2009) “Quantum transport in a periodic symmetric potential of a driven quantum system” Phys. Rev. E 80, 041127.

Year :2008

Electronic Structure Theory (Relativistic and Nonrelativistic):

• Chaudhuri, R. K., Freed, K. Chattopadhyay, S., and Mahapatra, U. S, (2008) “Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory” J. Chem. Phys. 128, 144304.
• 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.
• 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.
• 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.
• 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):

• 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.
• 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.
• Bhattacharya, S., Chaudhuri, P. Chattopadhyay, S. and Ray 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. E 78, 021123.
• Bhattacharya, S., Chaudhuri, P. Chattopadhyay, S. and Ray Chaudhuri, J. (2008) “Phase induced current in presence of non-equilibrium bath: A quantum approach”, J. Chem. Phys. 129, 124708.
• Chaudhuri, P. Mukherjee, B. Chattopadhyay, S. and Ray Chaudhuri, J. (2008) “Effect of correlated noises on directed motion”, Phys. Chem. Chem. Phys. 10 6097.
• Ray Chaudhuri, J, Banik, S. K., Chattopadhyay, S. and Chaudhuri, 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):

• 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.
• Chattopadhyay, S., Mahapatra, U. S. and Chaudhuri 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):

• 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.
• 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):

• 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. Chessm. Acc. 116, 621-636.
• 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.
• 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):

• 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.
• 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.
• 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 First 40 Years, Ed. C. F. Dykstra, et. al (Elsevier), 581-633.
• 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, U109U, 11462-11469.

Year :2004

Electronic Structure Theory (Relativistic and Nonrelativistic):

• 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.
• 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.
• 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.
• 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 : 1993-2003

Electronic Structure Theory (Relativistic and Nonrelativistic):

• 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., U111U, 3820-3831.
• 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.
• 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., U112U, 7939-7952.
• 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), U39U, 1- 8.
• 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.
• 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., U357U, 426.
• 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., U361U, 298-306.
• 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.
• 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., U381U, 223-229.
• 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. U37U, 495-510.

• Basic and Advanced Quantum Mechanics
• Spectroscopy and Group Theory
• Chemical Kinetics and Reaction Rate Theory
• Chemical Dynamics in Condensed Phases