Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes-Reference-Cited by-同舟云学术

Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes

Published:2017-06-28 Issue:24 Volume:146 Page:244102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Sokolov Alexander Yu.¹,Guo Sheng¹,Ronca Enrico¹^ORCID,Chan Garnet Kin-Lic¹

Affiliation:

1. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA

Funder

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4986975

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3. An efficient and near linear scaling pair natural orbital based local coupled cluster method

4. Natural triple excitations in local coupled cluster calculations with pair natural orbitals

5. Ab initio quantum chemistry using the density matrix renormalization group

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