A procedure for extending electron gas calculations to rtlo!ecuie-r?lolecuIc interactions is presented which nllo~~s rapid determination of the dependence of intermolecular potentials on all vibration and rotiition coordinates. Results for HP-W aglee well with accurate SCF calculations.
โฆ LIBER โฆ
EFFECTIVE POTENTIAL METHODS FOR USE IN ELECTRONIC STRUCTURE CALCULATIONS OF LARGE MOLECULES
โ Scribed by Sid Topiol; Roman Osman; Harel Weinstein
- Book ID
- 118719376
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 880 KB
- Volume
- 367
- Category
- Article
- ISSN
- 0890-6564
No coin nor oath required. For personal study only.
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