Compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities
β Scribed by Bishop, David M.; Kirtman, Bernard
- Book ID
- 121820818
- Publisher
- American Institute of Physics
- Year
- 1992
- Tongue
- English
- Weight
- 236 KB
- Volume
- 97
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.463806
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## Abstract The intensityβcarrying mode (ICM) theory is developed for analyzing the vibrational motions that mainly contribute to vibrational polarizabilities and hyperpolarizabilities, which are important for describing intermolecular electrostatic interactions and nonlinear optical properties of
A throry is developed. based on the generalized Iiirlwood treatment for static dipole polarizabilitics. for the calcularkm oi dgmmic dipole pohrizabilities. It is applied. using rather ~pprosimm SCF wavcfunctions. lo Hz. Nz. CO. HF. and CII, Tiw rcsuI:s. compared witit cspcriment. are of varied qu