A quantum Monte Carlo study of the molybdenum dimer (Mo2)-Reference-Cited by-同舟云学术

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A quantum Monte Carlo study of the molybdenum dimer (Mo2)

Published:2019-12 Issue: Volume:1170 Page:112642
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Kulahlioglu Adem Halil,Mitas Lubos

Funder

Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference45 articles.

1. The Cr2 potential energy curve studied with multiconfigurational second-order perturbation theory;Andersson;Chem. Phys. Lett.,1994

2. Multireference configuration interaction calculations on Cr2: passing the one billion limit in MRCI/MRACPF calculations;Dachsel;J. Phys. Chem. A,1999

3. A benchmark quantum Monte Carlo study of the ground state chromium dimer;Hongo;Int. J. Quantum Chem.,2012

4. The bond length of Cr2;Michalopoulos;J. Phys. Chem.,1982

5. Large-scale parallel uncontracted multireference-averaged quadratic coupled cluster: the ground state of the chromium dimer revisited;Müller;J. Phys. Chem. A,2009

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2. The Multistate Quantum Monte Carlo Algebraic Diagrammatic Construction Method;The Journal of Physical Chemistry A;2023-02-27

3. Analysis of chemical bonding of the ground and low-lying states of Mo₂ and of Mo₂Cl_x complexes, x = 2–10;The Journal of Chemical Physics;2022-08-07

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