Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory-Reference-Cited by-同舟云学术

Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory

Published:2022-06-08 Issue:7 Volume:18 Page:4218-4228
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Urban Lars¹²^ORCID,Laqua Henryk¹,Ochsenfeld Christian¹²^ORCID

Affiliation:

1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany

2. Max Planck Institute for Solid State Research, D-70569 Stuttgart, Germany

Funder

Deutsche Forschungsgemeinschaft

Max-Planck-Gesellschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00215

Reference99 articles.

1. Linear-scaling self-consistent field methods for large molecules

2. The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods

3. N�herungsmethode zur L�sung des quantenmechanischen Mehrk�rperproblems

4. New Developments in Molecular Orbital Theory

5. The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials

Cited by 1 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. Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term;Journal of Chemical Theory and Computation;2024-04-16