STATIC NONLOCAL DIELECTRIC FUNCTION OF LIQUID WATER

Citation
Pa. Bopp et al., STATIC NONLOCAL DIELECTRIC FUNCTION OF LIQUID WATER, Physical review letters, 76(8), 1996, pp. 1280-1283
Citations number
24
Categorie Soggetti
Physics
Journal title
ISSN journal
00319007
Volume
76
Issue
8
Year of publication
1996
Pages
1280 - 1283
Database
ISI
SICI code
0031-9007(1996)76:8<1280:SNDFOL>2.0.ZU;2-S
Abstract
The wave vector dependent longitudinal static dielectric function epsi lon(k) of water is calculated in a broad k range by means of molecular dynamics simulation for a central force model and is compared with ep silon(k) determined from neutron diffraction data. It exhibits a decre ase at small k, two divergence points on the k axis with a range of ne gative values in between, and the correct physical limit, epsilon(k -- > infinity) = 1. The response function, 1 - 1/epsilon(k), shows a shar p peak. indicative of overscreening, at k similar to 3 Angstrom(-1).