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Perspective: Multireference coupled cluster theories of dynamical electron correlation.

Authors :
Evangelista, Francesco A.
Source :
Journal of Chemical Physics. 7/21/2018, Vol. 149 Issue 3, pN.PAG-N.PAG. 13p. 1 Color Photograph, 1 Diagram, 1 Graph.
Publication Year :
2018

Abstract

Predicting the electronic structure and properties of molecular systems that display strong electron correlation effects continues to remain a fundamental theoretical challenge. This perspective discusses the recent progress and current challenges in multireference wave function methods for dynamical electron correlation, focusing on systematically improvable methods that go beyond the limitations of configuration interaction and perturbation theory. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
149
Issue :
3
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
130857411
Full Text :
https://doi.org/10.1063/1.5039496