THE STATIC DIELECTRIC-CONSTANT OF THE SOFT STICKY DIPOLE MODEL OF LIQUID WATER - MONTE-CARLO SIMULATION

Authors
Citation
Y. Liu et T. Ichiye, THE STATIC DIELECTRIC-CONSTANT OF THE SOFT STICKY DIPOLE MODEL OF LIQUID WATER - MONTE-CARLO SIMULATION, Chemical physics letters, 256(3), 1996, pp. 334-340
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
256
Issue
3
Year of publication
1996
Pages
334 - 340
Database
ISI
SICI code
0009-2614(1996)256:3<334:TSDOTS>2.0.ZU;2-Y
Abstract
Recently, we have developed a new water potential (J. Phys. Chem. 100 (1996) 2723), which gives good descriptions of water and provides a 6- 7 fold increase in computational speed in Monte Carlo simulations when compared to existing multi-site models. Here, the static dielectric c onstant of this model is calculated by Monte Carlo simulations employi ng the reaction field method. Also, a study of the influence of accept ance ratio on the calculated dielectric constant is made by varying th e acceptance from 20 to 50%, The calculated dielectric constant conver ges to 81 and shows no correlation with the acceptance ratio.