๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

N-particle dynamics of polarizable Stockmayer-type molecules

โœ Scribed by Franz J. Vesely

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
558 KB
Volume
24
Category
Article
ISSN
0021-9991

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Approximations in studies of dynamic pol
Approximations in studies of dynamic polarizabilities of adsorbed molecules
โœ F. Depasse; J.M. Vigoureux ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 544 KB

We take the example of the dynamic polarizability, induced in an atom or a centrosymmetric molecule by the presence of a perfect metallic surface, to study and discuss the possible approximations in calculations of dynamic effects. We show that in normal cases, the expression for the hyperpolarizabi

Time-reversible always stable predictorโ€“
Time-reversible always stable predictorโ€“corrector method for molecular dynamics of polarizable molecules
โœ Jiล™รญ Kolafa ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 184 KB

## Abstract An improved method for classic molecular dynamics of polarizable molecules is proposed. The method uses a predictor, one evaluation of the electrostatic field per integration step, and relaxation (damping). The selfโ€consistent solution is approximated with error of the second order (wit

A variation-perturbation calculation of
A variation-perturbation calculation of the dynamic polarizability of the H2 molecule
โœ J. Rychlewski ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 243 KB

A varMlon-perturbation method has been used to calculate the dynamic polarizabllities al(w) and Q,,(W) of the hydrogen molecule. Values have been obtained for frequencies below the first exatation for a fned bond len@h of I.4 au.