Extrapolation of high-order correlation energies: the WMS model-Reference-Cited by-同舟云学术

Extrapolation of high-order correlation energies: the WMS model

Published:2018 Issue:43 Volume:20 Page:27375-27384
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhao Yan¹²³⁴⁵^ORCID,Xia Lixue¹²³⁴⁵^ORCID,Liao Xiaobin¹²³⁴⁵^ORCID,He Qiu¹²³⁴⁵^ORCID,Zhao Maria X.⁶⁷⁸^ORCID,Truhlar Donald G.⁹¹⁰¹¹⁸^ORCID

Affiliation:

1. State Key Laboratory of Silicate Materials for Architectures

2. International School of Materials Science and Engineering

3. Wuhan University of Technology

4. Wuhan 430070

5. People's Republic of China

6. Lynbrook High School

7. San Jose

8. USA

9. Department of Chemistry

10. Chemical Theory Center, and Supercomputing Institute

11. University of Minnesota

Abstract

We present a composite model chemistry, Wuhan–Minnesota scaled (WMS), with an excellent performance-to-cost ratio, including strongly correlated systems.

Funder

National Science Foundation

Recruitment Program of Global Experts

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP04973D

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4. A complete basis set model chemistry. IV. An improved atomic pair natural orbital method

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