Field and field gradient integrals based on Gaussian type orbitals
收藏Mendeley Data2024-06-25 更新2024-06-26 收录
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Title of program: FGRAD Catalogue Id: ABYC_v1_0 Nature of problem The function subprogram FGRAD with associated subroutines FGAMA and FTABL computes the field gradient integral based on combined or contracted gaussian-type orbitals (CGTO). Versions of this program held in the CPC repository in Mendeley Data ABYC_v1_0; FGRAD; 10.1016/0010-4655(72)90060-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2024-01-23
