Analytic exchange integral for coupled cluster theory in the homogeneous electron gas

Published: 15 May 2006| Version 1 | DOI: 10.17632/v7z97sfcnz.1
Contributor:
Claudine Gutlé

Description

Abstract A six-dimensional integral occurring in the description of the ground state of the homogeneous electron gas was calculated analytically. This formula, together with the one of a previous work [G.G. Hoffman, Phys. Rev. B 45 (1992) 8730], reduces from seven to one the dimension of the numerical integrations to be performed in the RPA + RPAEX^({star operator} ( 1 ))approximation for the correlation energy [R.F. Bishop, K.H. Lührmann, Phys. Rev. B 26 (1982) 5523]. Title of program: qexm2em1 Catalogue Id: ADXJ_v1_0 Nature of problem The program gives an analytical derivation of a six-dimensional exchange integral involved in the calculation of the correlation energy of the electron gas. Versions of this program held in the CPC repository in Mendeley Data ADXJ_v1_0; qexm2em1; 10.1016/j.cpc.2005.12.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Computational Physics, Computer Algebra System

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