General multi-configuration Hartree--Fock program: MCHF77. [In FORTRAN (double precision) for IBM 360 and 370]
This technical report contains a listing of a general program for multi-configuration Hartree--Fock (MCHF) calculations, including its documentation. Several examples are given showing how the program may be used. Typical output for several cases is also presented. This program has been tested over an extended period of time for a large variety of cases. This program is written for the IBM 360 or 370 in double-precision arithmetic.
- Research Organization:
- Pennsylvania State Univ., University Park, PA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- EG-77-S-02-4264
- OSTI ID:
- 5167741
- Report Number(s):
- COO-4264-1; TRN: 78-007922
- Country of Publication:
- United States
- Language:
- English
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ATOMS
ELECTRONIC STRUCTURE
COMPUTER CODES
M CODES
HELIUM
SODIUM
TUNGSTEN IONS
ATOMIC MODELS
FORTRAN
HARTREE-FOCK METHOD
IBM COMPUTERS
WAVE FUNCTIONS
ALKALI METALS
ATOMIC IONS
CHARGED PARTICLES
COMPUTERS
CRYOGENIC FLUIDS
ELEMENTS
FLUIDS
FUNCTIONS
IONS
MATHEMATICAL MODELS
METALS
NONMETALS
PROGRAMMING LANGUAGES
RARE GASES
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Molecular & Chemical Physics- Atomic & Molecular Theory- (-1987)
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