Thu, Sep 19, 2019

Prof. Sudip Kumar Chattopadhyay, Department of Chemistry

Dr. Sudip Kr. Chattopadhyay
che-sudipkchattopadhyay Dr. Sudip Kr. Chattopadhyay
Professor, Chemistry
  • Ph. D. (Science), in Theoretical Chemistry (Jadavpur University) [at Indian Association for the Cultivation of Science].
  • M. Sc. (Specialization – Physical Chemistry), University of Burdwan.  Received the University Gold Medal and Bardhaman Sammilani Medal from the University of Burdwan for securing First Class First Position in M. Sc. (Chemistry) Examination.
  • B. Sc in Chemistry (Honours).  Chandernagore (Govt) College (University of Burdwan). Received the Dr. Mrigendranath Ghosh Medal from the University of Burdwan for securing First Class First Position in B. Sc. Hons (Chemistry) Examination.

 

Contact Addresses
Residence

C/o Manjari Banerjee, 126/1B Hazra Road, Kolkata-700026West Bengal, India

Phone (office) +91 - 33 - 26684561/62/63 Ext. 515
Mobile
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Research Areas
  • 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

 

Recent Publications

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.

 

 

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



Department of Chemistry, BESU, Shibpur - 7111 03, INDIA

 

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