A fast ab initio model for the calculation of excited electronic states ofatoms and molecules in a weakly polarizable environment. II. Application to the spectrum of cesium in liquid helium

Authors
Citation
Cf. Kunz et Ba. Hess, A fast ab initio model for the calculation of excited electronic states ofatoms and molecules in a weakly polarizable environment. II. Application to the spectrum of cesium in liquid helium, J CHEM PHYS, 112(3), 2000, pp. 1383-1389
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
3
Year of publication
2000
Pages
1383 - 1389
Database
ISI
SICI code
0021-9606(20000115)112:3<1383:AFAIMF>2.0.ZU;2-H
Abstract
We report the first application of a recently developed ab initio scheme fo r the calculation of electronic spectra of atoms and molecules in an enviro nment of discrete, unpolarizable particles acting as a solvent. We simulate the P-2 <--S-2 excitation spectrum of atomic cesium in a solution of liqui d helium and compare the results with experimental data taken from the lite rature. (C) 2000 American Institute of Physics. [S0021-9606(00)30801-7].