𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Approximation of atomic wave functions and potentials by functions of gaussian type

✍ Scribed by V.V. Dyakih; B.I. Rezer

Publisher
Elsevier Science
Year
1984
Weight
234 KB
Volume
24
Category
Article
ISSN
0041-5553

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Asymptotics for the Approximation of Wav
Asymptotics for the Approximation of Wave Functions by Exponential-Sums
✍ D. Braess πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 285 KB

When studying the approximation of the wave functions of the \(H\)-atom by sums of Gaussians, Klopper and Kutzelnigg [KK] and Kutzelnigg [Ku] found an asymptotic of \(\exp [-\gamma \sqrt{n}]\). The results were obtained from numerical results and justified by some asymptotic expansions in quadrature

Hydrogen-type orbitals in terms of Gauss
Hydrogen-type orbitals in terms of Gaussian functions
✍ Herbert F. M. Dacosta; Milan Trsic; Alfredo M. Simas πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 197 KB

We express the hydrogen-type orbitals as integral transforms of Gaussian functions. The topographic features of the analytical expressions for the weight functions provide ways for the design of basis sets.

Energy of interaction between two hydrog
Energy of interaction between two hydrogen atoms by the contracted gaussian type functions
✍ M. Urban; T. LavickΓ½ πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 404 KB

It was found, that contracted gaussian functions with scaled esponents lead to good binding energy curves of the hydrqen molecuIc and thnt the scaling parameters of the esponer?ts of gaussixn fultrtions are very similar to the scaling puameters of the Slnter orbitals, mainly for s-type functions. A