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Title: Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations

Abstract

Not provided.

Authors:
ORCiD logo [1];  [1];  [1];  [2];  [2]; ORCiD logo [1]
  1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States
  2. Gaussian Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, United States
Publication Date:
Research Org.:
Univ. of Washington, Seattle, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1534567
DOE Contract Number:  
SC0006863
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 13; Journal Issue: 6; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Egidi, Franco, Sun, Shichao, Goings, Joshua J., Scalmani, Giovanni, Frisch, Michael J., and Li, Xiaosong. Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations. United States: N. p., 2017. Web. doi:10.1021/acs.jctc.7b00104.
Egidi, Franco, Sun, Shichao, Goings, Joshua J., Scalmani, Giovanni, Frisch, Michael J., & Li, Xiaosong. Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations. United States. doi:10.1021/acs.jctc.7b00104.
Egidi, Franco, Sun, Shichao, Goings, Joshua J., Scalmani, Giovanni, Frisch, Michael J., and Li, Xiaosong. Wed . "Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations". United States. doi:10.1021/acs.jctc.7b00104.
@article{osti_1534567,
title = {Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations},
author = {Egidi, Franco and Sun, Shichao and Goings, Joshua J. and Scalmani, Giovanni and Frisch, Michael J. and Li, Xiaosong},
abstractNote = {Not provided.},
doi = {10.1021/acs.jctc.7b00104},
journal = {Journal of Chemical Theory and Computation},
issn = {1549-9618},
number = 6,
volume = 13,
place = {United States},
year = {2017},
month = {5}
}

Works referencing / citing this record:

An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables
journal, July 2018

  • Petrone, Alessio; Williams-Young, David B.; Sun, Shichao
  • The European Physical Journal B, Vol. 91, Issue 7
  • DOI: 10.1140/epjb/e2018-90170-1