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Faddeev Random Phase Approximation for molecules

delete2011-09-01
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M
Matthias Degroote *
D
Dimitri Van Neck
C
C. Barbieri
DOI:10.1016/j.cpc.2010.10.024delete
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Abstract

Abstract

En 中文
The Faddeev Random Phase Approximation is a Green's function technique that makes use of Faddeev-equations to couple two-particle-one-hole and two-hole-one-particle excitations to the single-particle spectrum. Solving these equations implies an infinite partial summation of the perturbation expansion of the self energy. This method goes beyond the third-order Algebraic Diagrammatic Approximation by treating both the particle-hole and particle-particle interactions at the Random Phase Approximation-level. This paper presents the first results of our calculations for diatomic molecules. (C) 2010 Elsevier B.V. All rights reserved.
Keywords:
Quantum chemistry
Green's function
RPA
FRPA
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Journal

Computer Physics Communications cover
Computer Physics Communications
IF:
3.4
Papers:
1.2W
Citations:
3.7W

Organization

G
Ghent University
Scholars:
5.2W
Papers: 4.5W
Citations: 5.5W
U
University of Surrey
Scholars:
1.2W
Papers: 1.3W
Citations: 22