𝔖 Bobbio Scriptorium
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Effective Hamiltonian Theory and Molecular Dynamics

✍ Scribed by Jolicard, G


Book ID
115445303
Publisher
Annual Reviews
Year
1995
Tongue
English
Weight
670 KB
Volume
46
Category
Article
ISSN
0066-426X

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πŸ“œ SIMILAR VOLUMES


Valence effective Hamiltonian method for
✍ Ronald E. Hammer; Kenneth M. Sando πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 456 KB

The valence effective Hamiltonian method has been applied to the calculation of the electronic structures of molecular fragments. With increasing fragment size, charge densities and isolated orbital energies rapidly converge to those determined from a full molecule calculation.