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Title: 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

Authors:
 [1];  [1]; ORCiD logo [1];  [1]
  1. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1365432
Grant/Contract Number:
SC0008624; SC0010530
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 24; Related Information: CHORUS Timestamp: 2018-02-14 12:00:02; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Sokolov, Alexander Yu., Guo, Sheng, Ronca, Enrico, and Chan, Garnet Kin-Lic. 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. United States: N. p., 2017. Web. doi:10.1063/1.4986975.
Sokolov, Alexander Yu., Guo, Sheng, Ronca, Enrico, & Chan, Garnet Kin-Lic. 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. United States. doi:10.1063/1.4986975.
Sokolov, Alexander Yu., Guo, Sheng, Ronca, Enrico, and Chan, Garnet Kin-Lic. Wed . "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". United States. doi:10.1063/1.4986975.
@article{osti_1365432,
title = {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},
author = {Sokolov, Alexander Yu. and Guo, Sheng and Ronca, Enrico and Chan, Garnet Kin-Lic},
abstractNote = {},
doi = {10.1063/1.4986975},
journal = {Journal of Chemical Physics},
number = 24,
volume = 146,
place = {United States},
year = {Wed Jun 28 00:00:00 EDT 2017},
month = {Wed Jun 28 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on June 22, 2018
Publisher's Accepted Manuscript

Citation Metrics:
Cited by: 2works
Citation information provided by
Web of Science

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