QUANTUM SIMULATION OF HIGH-DENSITY AMORPHOUS ICE

Authors
GAI HD SCHENTER GK GARRETT BC
Citation
Hd. Gai et al., QUANTUM SIMULATION OF HIGH-DENSITY AMORPHOUS ICE, Physical review. B, Condensed matter, 54(21), 1996, pp. 14873-14876
Citations number
29
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
54
Issue
21
Year of publication
1996
Pages
14873 - 14876
Database
ISI
SICI code
0163-1829(1996)54:21<14873:QSOHAI>2.0.ZU;2-X
Abstract
Path-integral Monte Carlo simulations have been carried out to study t he structural properties of high-density amorphous ice at 77 K. The ca lculated pair-distribution functions for D2O ice show good agreement w ith experimental measurements. The lattice structure in H2O ice is fou nd to be significantly different from that in D2O due to quantum deloc alization of the hydrogen atoms.