General Hartree-Fock program

Published: 01-01-1987| Version 1 | DOI: 10.17632/cgp65hn6hn.1
Contributor:
Charlotte Froese Fischer

Description

Abstract Title of program: HF86 Catalogue number: AATK Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application from in this issue) Computer: Vax 11/780; Installation: Vanderbilt University, Nashville, TN 37235, USA Operation system: VMS Version 4.4 Programming language used: FORTRAN 77 Virtual memory: 526 kbytes No. of bits in a word: 32 Peripherals used: disk, printer, terminal No. of lines in combined program and test deck: 4167 ... Title of program: HF86 Catalogue Id: AATK_v1_0 Nature of problem Numerical non-relativistic Hartree-Fock wavefunctions are determined for atoms in a bound state. These are used to predict a variety of atomic parameters. Versions of this program held in the CPC repository in Mendeley Data AATK_v1_0; HF86; 10.1016/0010-4655(87)90053-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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