Comparative configurational study for He, Ne, and Ar trimers

Citation
T. Gonzalez-lezana et al., Comparative configurational study for He, Ne, and Ar trimers, J CHEM PHYS, 110(18), 1999, pp. 9000-9010
Citations number
53
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
18
Year of publication
1999
Pages
9000 - 9010
Database
ISI
SICI code
0021-9606(19990508)110:18<9000:CCSFHN>2.0.ZU;2-M
Abstract
Helium trimer bound states are calculated by means of a variational method described in terms of atom pair coordinates and distributed Gaussian basis functions for zero total angular momentum. To show the feasibility of this method, we also apply it to the calculation of the first vibrational levels of the Ar-3 and Ne-3 clusters. Special emphasis is made on the study of th e possible Efimov behavior of the first excited state found in the He-4(3) trimer. Geometrical configurations of the ground and first excited states o f these rare gas trimers have been exhaustively studied owing to the proper symmetry of the coordinates chosen. (C) 1999 American Institute of Physics . [S0021-9606(99)00218-4].