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Numerical self-consistent field method for polyatomic molecules

✍ Scribed by ANDRAE, DIRK


Book ID
120647948
Publisher
Taylor and Francis Group
Year
2001
Tongue
English
Weight
724 KB
Volume
99
Category
Article
ISSN
0026-8976

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New vibrational self-consistent field pr
✍ JELSKI, DANIEL A.; HALEY, RANDALL H.; BOWMAN, JOEL M. πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 691 KB

A recently developed, general computer program that performs vibrational self-consistent field (VSCF) calculations for large molecules is described. The program, which we refer to as VSCF-95, requires as its only input a force field in mass-scaled normal coordinates. Currently, it is limited to a ma