𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Polarization correction to the electrostatic potential at the CNDO and theab initiolevel. Influence of the basis set expansion

✍ Scribed by D. Dehareng; G. Dive; J. M. Ghuysen


Book ID
105082768
Publisher
Springer
Year
1991
Tongue
English
Weight
574 KB
Volume
79
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Effects of finite basis set expansion an
✍ F. De Proft; K.D. Sen; P. Geerlings πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 310 KB

The shell structure of a selected number of atoms is studied using the average local electrostatic potential function V(r)/p(r) and Gaussian type orbitals. In addition, the influence of electron correlation on this function is discussed: these effects are shown to be small and can be neglected in co