Frozen core hartree-fock program for atomic discrete and continuous states
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https://data.mendeley.com/datasets/xv383wcbx2
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资源简介：
Title of program: ATOMIC FROZEN CORE HARTREE-FOCK
Catalogue Id: AAKZ_v1_0
Nature of problem
The present program calculates the excited state Hartree-Fock (HF) radial wave function of a single-electron in the 'frozen core' (FC) field of other electrons. The radial one-electron wave functions of the 'frozen core' are a soLUtion of the corresponding self-consistent field HF problem. The energy eigenvalue for single-electron discrete (bound) states, or the phase shift for continuous states are also calculated.
Versions of this program held in the CPC repository in Mendeley Data
AAKZ_v1_0; ATOMIC FROZEN CORE HARTREE-FOCK; 10.1016/0010-4655(79)90026-2
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
