Integral partition bounds for fast and effective screening of general one-, two-, and many-electron integrals-Reference-Cited by-同舟云学术

Integral partition bounds for fast and effective screening of general one-, two-, and many-electron integrals

Published:2019-01-28 Issue:4 Volume:150 Page:044101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Thompson Travis H.¹,Ochsenfeld Christian¹^ORCID

Affiliation:

1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 7, D-81377 Munich, Germany and Center for Integrated Protein Science Munich (CIPSM) at the Department of Chemistry, University of Munich (LMU), Butenandtstr. 5-13, D-81377 Munich, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5048491

Reference48 articles.

1. Hybrid functionals based on a screened Coulomb potential

2. Influence of the exchange screening parameter on the performance of screened hybrid functionals

3. Communication: A new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue–Burke–Ernzerhof)