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Title: Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory

Authors:
 [1]; ORCiD logo [1]
  1. Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1228521
Grant/Contract Number:  
FG02-13ER16398
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 142 Journal Issue: 5; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

MacLeod, Matthew K., and Shiozaki, Toru. Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory. United States: N. p., 2015. Web. doi:10.1063/1.4907717.
MacLeod, Matthew K., & Shiozaki, Toru. Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory. United States. doi:10.1063/1.4907717.
MacLeod, Matthew K., and Shiozaki, Toru. Sat . "Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory". United States. doi:10.1063/1.4907717.
@article{osti_1228521,
title = {Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory},
author = {MacLeod, Matthew K. and Shiozaki, Toru},
abstractNote = {},
doi = {10.1063/1.4907717},
journal = {Journal of Chemical Physics},
number = 5,
volume = 142,
place = {United States},
year = {Sat Feb 07 00:00:00 EST 2015},
month = {Sat Feb 07 00:00:00 EST 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4907717

Citation Metrics:
Cited by: 19 works
Citation information provided by
Web of Science

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005

  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a