Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations-Reference-Cited by-同舟云学术

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Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations

Published:2020-07-16 Issue:8 Volume:16 Page:4912-4922
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Qu Zexing¹^ORCID,Ma Yingjin²³^ORCID

Affiliation:

1. Institute of Theoretical Chemistry and Laboratory of Theoretical & Computational Chemistry, Jilin University, Changchun 130023, China

2. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China

3. Center of Scientific Computing Applications & Research, Chinese Academy of Sciences, Beijing 100190, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00208

Reference55 articles.

1. Density functional theory: Its origins, rise to prominence, and future

2. Perspective: Kohn-Sham density functional theory descending a staircase

3. The role of density functional theory in chemistry: Some historical landmarks and applications to zeolites

4. Density Functional Theory of Electronic Structure

5. Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

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