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Uttam Sinha Mahapatra

Showing results (1-10 of 21) with videos related to

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The Journal of Chemical Physics|August 24, 2010
Potential energy surface studies via a single root multireference coupled cluster theoryUttam Sinha Mahapatra, Sudip Chattopadhyay
Journal of Computational Chemistry|March 16, 2012
Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemesUttam Sinha Mahapatra, Sudip Chattopadhyay
The Journal of Chemical Physics|February 2, 2011
Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimizationUttam Sinha Mahapatra, Sudip Chattopadhyay
Journal of Chemical Theory and Computation|November 28, 2015
Study of the Ground State Dissociation of Diatomic Molecular Systems Using State-Specific Multireference Perturbation Theory: A Brillouin-Wigner SchemeUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
The Journal of Chemical Physics|July 16, 2008
Molecular applications of state-specific multireference perturbation theory to HF, H2O, H2S, C2, and N2 moleculesUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
The Journal of Physical Chemistry. A|May 9, 2013
Taming the electronic structure of lead and eka-lead (flerovium) by the relativistic coupled cluster methodRajat K Chaudhuri, Sudip Chattopadhyay, Uttam Sinha Mahapatra
Journal of Computational Chemistry|August 5, 2010
Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadieneUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
The Journal of Physical Chemistry. A|February 16, 2010
Second-order state-specific multireference Møller-Plesset perturbation theory (SS-MRMPPT) applied to geometry optimizationUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 18, 2011
Ab initio multireference investigation of disjoint diradicals: singlet versus triplet ground statesSudip Chattopadhyay, Rajat K Chaudhuri, Uttam Sinha Mahapatra
Journal of Computational Chemistry|March 6, 2015
State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2Sudip Chattopadhyay, Rajat K Chaudhuri, Uttam Sinha Mahapatra
Pageof 3

Showing results (1-10 of 21) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|August 24, 2010
Potential energy surface studies via a single root multireference coupled cluster theoryUttam Sinha Mahapatra, Sudip Chattopadhyay
Journal of Computational Chemistry|March 16, 2012
Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemesUttam Sinha Mahapatra, Sudip Chattopadhyay
The Journal of Chemical Physics|February 2, 2011
Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimizationUttam Sinha Mahapatra, Sudip Chattopadhyay
Journal of Chemical Theory and Computation|November 28, 2015
Study of the Ground State Dissociation of Diatomic Molecular Systems Using State-Specific Multireference Perturbation Theory: A Brillouin-Wigner SchemeUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
The Journal of Chemical Physics|July 16, 2008
Molecular applications of state-specific multireference perturbation theory to HF, H2O, H2S, C2, and N2 moleculesUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
The Journal of Physical Chemistry. A|May 9, 2013
Taming the electronic structure of lead and eka-lead (flerovium) by the relativistic coupled cluster methodRajat K Chaudhuri, Sudip Chattopadhyay, Uttam Sinha Mahapatra
Journal of Computational Chemistry|August 5, 2010
Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadieneUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
The Journal of Physical Chemistry. A|February 16, 2010
Second-order state-specific multireference Møller-Plesset perturbation theory (SS-MRMPPT) applied to geometry optimizationUttam Sinha Mahapatra, Sudip Chattopadhyay, Rajat K Chaudhuri
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 18, 2011
Ab initio multireference investigation of disjoint diradicals: singlet versus triplet ground statesSudip Chattopadhyay, Rajat K Chaudhuri, Uttam Sinha Mahapatra
Journal of Computational Chemistry|March 6, 2015
State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2Sudip Chattopadhyay, Rajat K Chaudhuri, Uttam Sinha Mahapatra
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