Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: Application to the ground state single-bond dissociation-Reference-Cited by-同舟云学术

Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: Application to the ground state single-bond dissociation

Published:2015-08-13 Issue:26 Volume:36 Page:1954-1972
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Ghosh Anirban¹,Chaudhuri Rajat K.²,Chattopadhyay Sudip¹,Mahapatra Uttam Sinha³

Affiliation:

1. Department of Chemistry; Indian Institute of Engineering Science and Technology; Shibpur Howrah 711103 India

2. Theory Group, Indian Institute of Astrophysics; Bangalore 560034 India

3. Department of Physics; Maulana Azad College; 8 Rafi Ahmed Kidwai Road Kolkata 700013 India

Funder

DST, India

DST, India for Inspire Fellowship

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference169 articles.

1. Low Temperatures and Cold Molecules

2. The formation and interactions of cold and ultracold molecules: new challenges for interdisciplinary physics

3. Focus on Cold and Ultracold Molecules

4. Electronic properties of francium diatomic compounds and prospects for cold molecule formation

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Single-Root Multireference Brillouin–Wigner Perturbative Approach to Excitation Energies;ACS Omega;2021-01-07

2. Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals;The Journal of Chemical Physics;2020-06-28

3. A simplified account of the correlation effects to bond breaking processes: The Brillouin-Wigner perturbation theory using a multireference formulation;The Journal of Chemical Physics;2019-08-14

4. Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements;The Journal of Chemical Physics;2018-02-07

5. Four-Component Relativistic State-Specific Multireference Perturbation Theory with a Simplified Treatment of Static Correlation;The Journal of Physical Chemistry A;2017-02-13