Calculation of integrals over ab initio pseudopotentials

DOI10.1016/0021-9991(81)90053-XzbMath0477.65018MaRDI QIDQ1161029

Ernest R. Davidson, Larry E. McMurchie

Publication date: 1981

Published in: Journal of Computational Physics (Search for Journal in Brave)

zbMATH Keywords

recursion relationsab initio pseudopotentialsangular and radial integralseffects of core electrons in a many-electron atompower and asymptotic series

Mathematics Subject Classification ID

Applications of quantum theory to specific physical systems (81V99) Numerical quadrature and cubature formulas (65D32) Other special functions (33E99)

Related Items (1)

Gaussian basis implementation of the charge patching method

Cites Work

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