TY - JOUR
T1 - Ultraviolet spectroscopy of water clusters
T2 - Excited electronic states and absorption line shapes of (H2O)n, n=2-6
AU - Harvey, Jeremy N.
AU - Jung, Joon O.
AU - Gerber, R. Benny
PY - 1998
Y1 - 1998
N2 - A semiempirical model is developed, based on ab initio calculations, to provide an analytic representation of excited-state potential energy surfaces for (H2O)n, n=2-6. Using quantum calculations of the ground vibrational states, the UV absorption spectra are computed by a semiclassical approximation, showing a strong blue-shift with extended blue tails relative to the monomer, but with an additional red tail in the case of the dimer absorption band. The nature of the excitonic states is discussed.
AB - A semiempirical model is developed, based on ab initio calculations, to provide an analytic representation of excited-state potential energy surfaces for (H2O)n, n=2-6. Using quantum calculations of the ground vibrational states, the UV absorption spectra are computed by a semiclassical approximation, showing a strong blue-shift with extended blue tails relative to the monomer, but with an additional red tail in the case of the dimer absorption band. The nature of the excitonic states is discussed.
UR - http://www.scopus.com/inward/record.url?scp=0032558909&partnerID=8YFLogxK
U2 - 10.1063/1.477542
DO - 10.1063/1.477542
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:0032558909
SN - 0021-9606
VL - 109
SP - 8747
EP - 8750
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 20
ER -