On the structure of concentrated lithium-liquid ammonia solutions

Autor:	K. Heinzinger, Z. Gurskii, S. Hannongbua
Rok vydání:	1993
Předmět:	Free electron model Chemistry Biophysics Interatomic potential Condensed Matter Physics Radial distribution function Solvated electron Renormalization Molecular dynamics Computational chemistry Chemical physics Physical and Theoretical Chemistry Molecular Biology Pair potential Quantum
Zdroj:	Molecular Physics. 78:461-474
ISSN:	1362-3028 0026-8976
Popis:	An approach is suggested for the investigation by computer simulation of systems which contain free electrons. Summation over the occupied free electron states makes it possible to exclude quantum particles from explicit consideration. This procedure leads to renormalized effective interatomic potentials which are generally weaker than the initial direct ones and allows us to apply computer simulation methods developed for classical systems to the study of systems with free electrons. The approach suggested is illustrated by molecular dynamics studies of concentrated lithium-ammonia solutions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::011660124223170a79b1431fe838e44a https://doi.org/10.1080/00268979300100331 Zobrazit plný text záznamu