Beyond Kohn–Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory-Reference-Cited by-同舟云学术

Beyond Kohn–Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory

Published:2016-12-01 Issue:24 Volume:7 Page:5143-5149
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Gao Jiali¹²^ORCID,Grofe Adam¹²,Ren Haisheng²,Bao Peng³

Affiliation:

1. Theoretical Chemistry Institute, Jilin University, Changchun 130023, P. R. China

2. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States

3. Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China

Funder

National Natural Science Foundation of China

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b02455

Reference40 articles.

1. Challenges for Density Functional Theory

2. Conical intersections and double excitations in time-dependent density functional theory

3. Conical Intersections from Particle–Particle Random Phase and Tamm–Dancoff Approximations

4. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems

5. Description of Conical Intersections with Density Functional Methods

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