2022
DOI: 10.48550/arxiv.2201.05550
|View full text |Cite
Preprint
|
Sign up to set email alerts
|

Range separation of the Coulomb hole

Mireia Via-Nadal,
Mauricio Rodríguez-Mayorga,
Eloy Ramos-Cordoba
et al.

Abstract: A range-separation of the Coulomb hole into two components, one of them being predominant at long interelectronic separations (h c I ) and the other at short distances (h c II ), is exhaustively analyzed throughout various examples that put forward the most relevant features of this approach and how they can be used to develop efficient ways to capture electron correlation. We show that h c I , which only depends on the first-order reduced density matrix, can be used to identify molecules with a predominant no… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 81 publications
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?