<scp>Forte</scp>: A suite of advanced multireference quantum chemistry methods-Reference-Cited by-同舟云学术

Forte: A suite of advanced multireference quantum chemistry methods

Published:2024-08-12 Issue:6 Volume:161 Page:
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:

Author:

Evangelista Francesco A.¹^ORCID,Li Chenyang²^ORCID,Verma Prakash¹^ORCID,Hannon Kevin P.¹^ORCID,Schriber Jeffrey B.¹³^ORCID,Zhang Tianyuan¹^ORCID,Cai Chenxi¹,Wang Shuhe¹,He Nan¹,Stair Nicholas H.¹^ORCID,Huang Meng¹^ORCID,Huang Renke¹^ORCID,Misiewicz Jonathon P.¹^ORCID,Li Shuhang¹^ORCID,Marin Kevin¹^ORCID,Zhao Zijun¹^ORCID,Burns Lori A.⁴^ORCID

Affiliation:

1. Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University 1 , Atlanta, Georgia 30322, USA

2. Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University 2 , Beijing 100875, China

3. Department of Chemistry and Biochemistry, Iona University 3 , New Rochelle, New York 10801, USA

4. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology 4 , Atlanta, Georgia 30332-0400, USA

Abstract

Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements.

Publisher

AIP Publishing

Link

https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0216512/20106432/062502_1_5.0216512.pdf

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