Approximate calculation of the matrix elements of Coulomb and exchange operators for the “core” electrons of the atoms Rb through Cd期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Approximate calculation of the matrix elements of Coulomb and exchange operators for the “core” electrons of the atoms Rb through Cd

Authors:	Raffaele Montagnani Oriano Salvetti

Affiliation:	(1) Istituto di Chimica Quantistica ed Energetica Molecolare del C.N.R., Via Risorgimento 35, 1-56100 Pisa, Italy

Abstract:	Following a previously described method which approximates the Coulomb and exchange integrals in valence-electron-only SCF calculations, the necessary parameters for the atoms from Rb to Cd are reported. Extension to other atoms is in progress.

Keywords:	Pseudopotential Valence-electron-only SCF
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