𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Wannier functions with a simple model potential

✍ Scribed by Frank A. Butler; R.D. Zwicker

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
118 KB
Volume
13
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Generalized born model with a simple smo
Generalized born model with a simple smoothing function
✍ Wonpil Im; Michael S. Lee; Charles L. Brooks III πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 272 KB

## Abstract Based on recent developments in generalized Born (GB) theory that employ rapid volume integration schemes (M. S. Lee, F. R. Salabury, Jr., and C. L. Brooks III, J Chem Phys 2002, 116, 10606) we have recast the calculation of the self‐electrostatic solvation energy to utilize a simple sm

A simple intermolecular potential energy
A simple intermolecular potential energy function for nonpolar molecules
✍ Jae Ho Bae πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 191 KB

An empirical intermolecular potential energy function with two adjustable parameters is proposed for quasi-spherical, non-polar molecules. Calculation of the second virial coefficients of methane, xenon and fluoromethane shows that the model is comparable with three-parameter potential functions.