Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units-Reference-Cited by-同舟云学术

Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units

Published:2011-05-23 Issue:6 Volume:7 Page:1814-1823
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Isborn Christine M.¹²,Luehr Nathan¹²,Ufimtsev Ivan S.¹²,Martínez Todd J.¹²

Affiliation:

1. PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305, United States

2. SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States

Funder

U.S. Department of Defense

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200030k

Reference86 articles.

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4. Time-Dependent Density Functional Response Theory for Molecules

5. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

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