𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A simple method for determining potential parameters for anharmonic molecular vibrations

✍ Scribed by Jan Makarewicz

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
356 KB
Volume
106
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A method for molecular ionization potent
A method for molecular ionization potentials
✍ J. Baker; B.T. Pickup πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 419 KB

A new method for one-electron propagator calculations of molecular lonlzatlon potentials IS proposed. usmg a large mafnx techmque The results of some trial calculations on molecular mtrogen are gnen

Comparison of the numerical stability of
Comparison of the numerical stability of methods for anharmonic calculations of vibrational molecular energies
✍ Petr Daněček; Petr BouΕ™ πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 440 KB πŸ‘ 1 views

## Abstract On model examples, we compare the performance of the vibrational self‐consistent field, variational, and four perturbational schemes used for computations of vibrational energies of semi‐rigid molecules, with emphasis on the numerical stability. Although the accuracy of the energies is