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A fixed core Hartree-Fock program for calculating bound and continuum orbitals

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Mendeley Data2023-02-23 更新2024-06-26 收录
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Title of program: FIXED CORE HARTREE-FOCK Catalogue Id: ACRX_v1_0 Nature of problem Numerical fixed core or frozen core Hartree-Fock results are determined for one bound or continuum orbital of an atom. Versions of this program held in the CPC repository in Mendeley Data ACRX_v1_0; FIXED CORE HARTREE-FOCK; 10.1016/0010-4655(74)90098-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间:
2019-12-18
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