Contribution of dipole fluctuations in the quantum theory of electronic polarizability of crystals
β Scribed by J. Heinrichs
- Publisher
- Elsevier Science
- Year
- 1965
- Weight
- 174 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0031-9163
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π SIMILAR VOLUMES
In this work, some aromatic sulfur-containing compounds in 4 categories have been studied. Theoretical calculations were performed at B3LYP/6-31 + G(3d,3p) level of theory using Gaussian 98. The average polarizability was determined experimentally by using the refractometric technique and Lorentz-Lo
interaction on the polariznbility of an individual molecule in 3 dielectric medium has been derived by Janscn. This expression is shown to rcducc to a more useful form by introducing n suitable approxi-.ation scheme for evaluating the relevant expectation values.
Quantum-mechanical calculations of three-body contributions to the dipole polarizability in linear and triangular He3 clusters are presented. Account is taken of electron correlation. For short distances, three-body terms can be large, dependent upon geometry, and although for distances greater than