Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States-Reference-Cited by-同舟云学术

Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States

Published:2006-11-17 Issue:49 Volume:110 Page:13126-13130
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhao Yan¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp066479k

Reference62 articles.

1. Density Functional Theory of Electronic Structure

2. Electron Correlation Effects in Molecules

3. Density-Functional Theory for Time-Dependent Systems

4. Time-Dependent Density Functional Response Theory of Molecular Systems: Theory, Computational Methods, and Functionals

5. Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

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