TY - JOUR
T1 - Orientation dependence of surface enhanced raman intensities
T2 - results from ab initio calculations
AU - Pandey, Prabhat K.K.
AU - Schatz, George C.
N1 - Funding Information:
’ Supported by Lhe Offlce of Naval Resesarch under contract N00014-79-C-0794 1 Alfred P. Sloan Fellow and Camille and Barry Deryfus Teacher - Scholar
PY - 1983
Y1 - 1983
N2 - Time dependent Hartree-Fock methods have been used to calculate Raman intensifies for H2 adsorbed onto a model lithium cluster as a function of the orientation of H2 relative to the cluster surface. The intensity is found to be largest for perpendicular adsorption, dropping to a small value at an intermediate angle, and then rising to a second but smaller maximum for parallel adsorption. The results are interpreted using a model which correlates enhancement to lithium cluster orbital energy shifts induced by the static quadrupole field Of H2.
AB - Time dependent Hartree-Fock methods have been used to calculate Raman intensifies for H2 adsorbed onto a model lithium cluster as a function of the orientation of H2 relative to the cluster surface. The intensity is found to be largest for perpendicular adsorption, dropping to a small value at an intermediate angle, and then rising to a second but smaller maximum for parallel adsorption. The results are interpreted using a model which correlates enhancement to lithium cluster orbital energy shifts induced by the static quadrupole field Of H2.
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U2 - 10.1016/0368-2048(83)80087-5
DO - 10.1016/0368-2048(83)80087-5
M3 - Article
AN - SCOPUS:49049127686
SN - 0368-2048
VL - 29
SP - 351
EP - 355
JO - Journal of Electron Spectroscopy and Related Phenomena
JF - Journal of Electron Spectroscopy and Related Phenomena
IS - 1
ER -