Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions
Author:
Affiliation:
1. Faculty of Chemistry, University of Warsaw, ul. L. Pasteura 1, 02-093 Warsaw, Poland
2. Institute of Physics, Lodz University of Technology, ul. Wolczanska 217/221, 93-005 Lodz, Poland
Funder
Narodowe Centrum Nauki
Horizon 2020 Framework Programme
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c01568
Reference74 articles.
1. Density functional theory with London dispersion corrections
2. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
3. Long range interactions in nanoscale science
4. Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
5. Noncovalent interactions in biochemistry
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