## Abstract A method to compute distributed dipoleβquadrupole polarizabilities is suggested. The method is based on numerical differentiation of distributed quadrupole moments, using finite field perturbation calculations. It is tested using two different multicenter multipole expansions, and compa
β¦ LIBER β¦
On the effect of dipole-quadrupole interaction on the polarizability of crystals
β Scribed by J. Schmit; J. Heinrichs
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 320 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
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.
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Table 1. Absolute Mean Error of Calculation for the Molecules Using Different Methods for Various Basis Sets. [kJ/mol] Method MB VDZ VDZP VTZP
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