The orbital amplitude difference function for systematic sequences of even-tempered basis sets of gaussian-type functions
β Scribed by Stephen Wilson
- Book ID
- 119116561
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 409 KB
- Volume
- 135
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## I A particular formulation of the distributed Gaussian basis-set approach, the extended Gaussian cell model, is applied to the simplest polycentric molecule, the linear H:+ ion. Calculations of the total energy using two extensions of the original Gaussian cell model are described and results a
## Abstract The Gaussianβtype basis sets for molecular calculations are usually prepared by an atomic SCF program in which spherical coordinates are used. On the other hand, many molecular SCF and CI programs are written by using the Cartesian coordinates and as a result sixβmembered __d__βtype fun