@article { ISI:A1994QA64300010,
	title = {REORIENTATION DYNAMICS OF ELECTRONIC ORBITALS IN CONDENSED PHASES - SIMULATIONS OF F(P-2) ATOMS IN SOLID KR},
	journal = {CHEMICAL PHYSICS LETTERS},
	volume = {231},
	year = {1994},
	month = {DEC 30},
	pages = {395-400},
	abstract = {Transitions induced by lattice motions between different electronic states of an F(P-2) atom in solid Kr are studied by molecular dynamics simulations. Hopping between potential surfaces is used in modelling the electronic transitions. Calculations for an initially prepared p-orbital orientation, with the lattice at T=25 K, show (1) the decay of orbital orientation at short times (t less than or equal to 40 fs) is well described by a model of random, uncorrelated surface hopping events; (2) the probability of orbital reorientation events is highly correlated with lattice cage distortions of a particular symmetry type, and weakly correlated with cage radial breathing motions; (3) the rate of electronic transitions is nearly constant in time at thermal conditions.},
	issn = {0009-2614},
	doi = {10.1016/0009-2614(94)01293-8},
	author = {Krylov, A. I. and Gerber, R. B.}
}
