P. Norman, Yi Luo, H. Ågren
Dec 8, 1997
Citations
0
Influential Citations
21
Citations
Journal
Journal of Chemical Physics
Abstract
The acetonitrile molecule is used as a critical test case for studying solvation effects on static and dynamic hyperpolarizabilities within the reaction field model. With due consideration of a parameter free cavity, local field factors, and inertial contributions, the hyperpolarizability of acetonitrile in solutions can be obtained, with about the same accuracy as in the gas phase.