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The core ionization energies calculated by delta SCF and Slater's transition state theory

Hirao, K; Nakajima, T; Chan, B; Lee, HJ

Hirao, K (通讯作者),Kyoto Univ, Fukui Inst Fundamental Chem, Nishihiraki cho 34 4, Sakyo ku, Kyoto 6068103, Japan.

JOURNAL OF CHEMICAL PHYSICS, 2023; 158 (6):

Abstract

The core ionization energies of the second-period and third-period elements are studied by Lambda SCF and Slater's transition state (STS) theory by us......

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