Semiempirical calculation of the electron polarizability of molecules
β Scribed by I. Ts. Lyast; R. G. Nusratullin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1969
- Tongue
- English
- Weight
- 309 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
We use a recently proposed method to calculate the electric ~olarizabilities of the hydrogen molecule and the hydrogen molecular ion We solve the first-order and second+xder perturbation equations by variational procedures and we use the solution of the second-order perturbation equation to improve
## Abstract Coupled and uncoupled HartreeβFock theories are used to compute the electric dipole polarizability of water, ammonia, and methane with three different GTO basis sets. Bounds for the geometric approximation to uncoupled polarizabilities are also computed to examine the accuracy of calcul