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
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
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].