A mixed basis set of Slater and Gaussian functions. Integrals with modified Gaussian functions
β Scribed by Renato Colle; Alessandro Fortunelli; Oriano Salvetti
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 282 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract A modified Gaussian function __g__(__u__, __v__, __w__, __a__, **__R__**) = const equation image __s__(__a__, **__R__**) is considered where __l__ = __u__ + __v__ + __w__, __s__ (__a__, **__R__**) is a 1__s__βtype Gaussian function centered at **R**, __a__ is the coefficient in the ex
Analytical solutions to the Yukawa-like screened Coulomb nuclear attraction and electron repulsion molecular basic integrals, as well as to the basic integrals required to compute the virial coefficient, over Gaussian basis functions, are derived and cast into a practical closed form, suitable to in