Multireference Rayleigh–Schrödinger perturbation theory and its application-Reference-Cited by-同舟云学术

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Multireference Rayleigh–Schrödinger perturbation theory and its application

Published:2019-03-28 Issue:12 Volume:150 Page:124108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Yi Jiang¹,Chen Feiwu¹^ORCID

Affiliation:

1. Department of Chemistry and Chemical Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, People’s Republic of China and Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Beijing 100083, People’s Republic of China

Funder

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5081814

Reference55 articles.

1. Note on an Approximation Treatment for Many-Electron Systems

2. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

3. Multireference Approaches for Excited States of Molecules

4. Generalized perturbation theory of effective valence shell hamiltonians

5. Analysis of ab initio effective valence shell Hamiltonian calculations using third order quasidegenerate many‐body perturbation theory

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1. A two-step Rayleigh-Schrödinger Brillouin-Wigner approach to transition energies;Electronic Structure;2024-02-23

2. Block Effective Hamiltonian Theory and Its Application;Journal of Chemical Theory and Computation;2022-12-14

3. Calculations of atomisation energy and singlet–triplet gap with iterative multireference configuration interaction;Molecular Physics;2022-03-10

4. 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

5. Investigation of Multiple-Bond Dissociation Using Brillouin–Wigner Perturbation with Improved Virtual Orbitals;The Journal of Physical Chemistry A;2020-01-24

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