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Faddeev Random Phase Approximation for molecules
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DOI：10.1016/j.cpc.2010.10.024.png)
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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.
Keyword:
Quantum chemistry
Green's function
RPA
FRPA
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3.4
论文数:
1.2W
被引数:
3.7W
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Faddeev treatment of long-range correlations and the one-hole spectral function of 16O -: art. no. 064313.png)
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OAAI分享收藏Faddeev description of two-hole-one-particle motion and the single-particle spectral functionPHYSICAL REVIEW COAAI
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