Reduction of orbital sets
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https://data.mendeley.com/datasets/f92hgsbb2s
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资源简介：
Title of program: OFMO
Catalogue Id: AATB_v1_0
Nature of problem
Given a set of atomic or molecular orbitals {psioi}, the program finds another orthonormal set, {psi i}, expressed in terms of a reduced basis {chi i}, that has maximum overlap with the given set.
Versions of this program held in the CPC repository in Mendeley Data
AATB_v1_0; OFMO; 10.1016/0010-4655(87)90211-6
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
