five

Field and field gradient integrals based on Gaussian type orbitals

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资源简介:
Title of program: FIELD Catalogue Id: ABYB_v1_0 Nature of problem The function subprogram FIELD with associated subroutines FGAMA and FTABL computes the field integral based on combined or contracted gaussian-type orbitals (CGTO). Versions of this program held in the CPC repository in Mendeley Data ABYB_v1_0; FIELD; 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)
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2019-11-11
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