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The Journal of Chemical Physics
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September 11, 2012
Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations
Debalina Sinha, Rahul Maitra, Debashis Mukherjee
The Journal of Chemical Physics
|
August 28, 2012
Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies
Sangita Sen, Avijit Shee, Debashis Mukherjee
The Journal of Chemical Physics
|
July 19, 2012
Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications
Rahul Maitra, Debalina Sinha, Debashis Mukherjee
The Journal of Chemical Physics
|
June 25, 2010
An algebraic proof of generalized Wick theorem
Liguo Kong, Marcel Nooijen, Debashis Mukherjee
The Journal of Chemical Physics
|
February 23, 2010
Full implementation and benchmark studies of Mukherjee's state-specific multireference coupled-cluster ansatz
Sanghamitra Das, Debashis Mukherjee, Mihály Kállay
The Journal of Chemical Physics
|
July 2, 2018
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
Junzi Liu, Ayush Asthana, Lan Cheng, et al.
The Journal of Chemical Physics
|
May 8, 2012
Inactive excitations in Mukherjee's state-specific multireference coupled cluster theory treated with internal contraction: development and applications
Sanghamitra Das, Shubhrodeep Pathak, Dipayan Datta, et al.
The Journal of Chemical Physics
|
January 21, 2012
A spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications
Shuneng Mao, Lan Cheng, Wenjian Liu, et al.
The Journal of Physical Chemistry. A
|
December 16, 2005
Reappraisal of the role of size-extensive normalization for multireference coupled cluster (MRCC) theory using general model space: a valence universal MRCC approach
Nabakumar Bera, Subhasree Ghosh, Debashis Mukherjee, et al.
The Journal of Chemical Physics
|
June 14, 2013
Communication: Extension of a universal explicit electron correlation correction to general complete active spaces
Robin Haunschild, Lan Cheng, Debashis Mukherjee, et al.
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Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
September 11, 2012
Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations
Debalina Sinha, Rahul Maitra, Debashis Mukherjee
The Journal of Chemical Physics
|
August 28, 2012
Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies
Sangita Sen, Avijit Shee, Debashis Mukherjee
The Journal of Chemical Physics
|
July 19, 2012
Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications
Rahul Maitra, Debalina Sinha, Debashis Mukherjee
The Journal of Chemical Physics
|
June 25, 2010
An algebraic proof of generalized Wick theorem
Liguo Kong, Marcel Nooijen, Debashis Mukherjee
The Journal of Chemical Physics
|
February 23, 2010
Full implementation and benchmark studies of Mukherjee's state-specific multireference coupled-cluster ansatz
Sanghamitra Das, Debashis Mukherjee, Mihály Kállay
The Journal of Chemical Physics
|
July 2, 2018
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
Junzi Liu, Ayush Asthana, Lan Cheng, et al.
The Journal of Chemical Physics
|
May 8, 2012
Inactive excitations in Mukherjee's state-specific multireference coupled cluster theory treated with internal contraction: development and applications
Sanghamitra Das, Shubhrodeep Pathak, Dipayan Datta, et al.
The Journal of Chemical Physics
|
January 21, 2012
A spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications
Shuneng Mao, Lan Cheng, Wenjian Liu, et al.
The Journal of Physical Chemistry. A
|
December 16, 2005
Reappraisal of the role of size-extensive normalization for multireference coupled cluster (MRCC) theory using general model space: a valence universal MRCC approach
Nabakumar Bera, Subhasree Ghosh, Debashis Mukherjee, et al.
The Journal of Chemical Physics
|
June 14, 2013
Communication: Extension of a universal explicit electron correlation correction to general complete active spaces
Robin Haunschild, Lan Cheng, Debashis Mukherjee, et al.
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of 4