TY - JOUR
T1 - Optical absorption spectra of (H2O)n
AU - Jortner, Joshua
AU - Landman, Uzi
AU - Barnett, R. N.
N1 - Funding Information:
Stimulating discussions with R.S. Berry, W.C. Lineberger,K .H. Bowen and A. Nitzan are gratefuHy acknowledged.W e are grateful to K.H. Bowen and M. Johnson for prepublication information. This research was supported by the US-Israel Binational Science Foundation (Grant No. 86-00361) and by the US DOE (Grant No. FG5-86ER45234).
PY - 1988/11/18
Y1 - 1988/11/18
N2 - We provide theoretical information from quantum path integral molecular dynamics simulations on the size dependence of the mean optical excitation energy of the localized excess electron in (H2O)n- (n= 8-128 ) cluster. We consider the energetics and the nature of the electronic excitation, i.e. bound-continuum and bound-bound transitions, and their interrelationship to the excess electron localization modes via surface and interior states in water clusters.
AB - We provide theoretical information from quantum path integral molecular dynamics simulations on the size dependence of the mean optical excitation energy of the localized excess electron in (H2O)n- (n= 8-128 ) cluster. We consider the energetics and the nature of the electronic excitation, i.e. bound-continuum and bound-bound transitions, and their interrelationship to the excess electron localization modes via surface and interior states in water clusters.
UR - http://www.scopus.com/inward/record.url?scp=45449124735&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(88)80105-2
DO - 10.1016/0009-2614(88)80105-2
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AN - SCOPUS:45449124735
VL - 152
SP - 353
EP - 357
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-5
ER -