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Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry

  • Published:2022-11-28 Issue:5 Volume:44 Page:697-709
  • ISSN:0192-8651
  • Container-title:Journal of Computational Chemistry
  • language:en
  • Short-container-title:J Comput Chem

Author:

Kim Taewon D.12,Richer M.1,Sánchez‐Díaz Gabriela1,Miranda‐Quintana Ramón Alain2ORCID,Verstraelen Toon3,Heidar‐Zadeh Farnaz4,Ayers Paul W.1ORCID

Affiliation:

1. Department of Chemistry and Chemical Biology McMaster University Hamilton Ontario Canada

2. Department of Chemistry and Quantum Theory Project University of Florida Gainesville Florida USA

3. Center for Molecular Modeling (CMM) Ghent University Ghent Belgium

4. Department of Chemistry Queen's University Kingston Ontario Canada

Funder

Canada Research Chairs

Natural Sciences and Engineering Research Council of Canada

Canarie

Compute Canada

University of Florida

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs;Journal of Chemical Theory and Computation;2024-02-02

2. Inductive proof of Borchardt’s theorem;Journal of Mathematical Chemistry;2024-01-10

3. Python in Chemistry: Physicochemical Tools;Processes;2023-09-30
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