Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States-Reference-Cited by-同舟云学术

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Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States

Published:2011-09-15 Issue:10 Volume:7 Page:3304-3313
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Trani Fabio¹²,Scalmani Giovanni³,Zheng Guishan⁴,Carnimeo Ivan¹²,Frisch Michael J.³,Barone Vincenzo¹²

Affiliation:

1. Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126, Pisa, Italy

2. INFN Sezione di Pisa, Pisa, Italy

3. Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, United States

4. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200461y

Reference49 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Casida, M. E.Recent Advances in Density Functional Methods;Chong, D. P.,Ed.World Scientific:Singapore, 1995; Vol.1, pp155–192.

3. Density functional theory of time-dependent phenomena

4. Excitation Energies from Time-Dependent Density-Functional Theory

5. TIME-DEPENDENT DENSITY FUNCTIONAL THEORY

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