𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Best optimized one-electron wave-functions. III. Direct examination of optimization effectiveness

✍ Scribed by P. Jakubowski

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
198 KB
Volume
10
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The effectiveness of the recently developed method for optimization of one‐electron wave‐functions is directly examined by means of a simple procedure. By means of the same procedure the dependence of electron correlation on the nuclear charge and on the number of electrons is also investigated.

📜 SIMILAR VOLUMES

Best optimized one-electron wave functio
Best optimized one-electron wave functions. I. The general procedure of optimization
✍ P. Jakubowski 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 625 KB

## Abstract A new effective semiempirical method of optimization of one‐electron wave‐functions has been proposed without a necessity to determine any exact many‐electron wave‐function. The method designed for LCAO MO calculations is based on a concept of interacting quasi‐particles and on nonortho

Best optimized one-electron wave-functio
Best optimized one-electron wave-functions. IV. Ionization energies of atoms
✍ P. Jakubowski 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 203 KB

## Abstract On the basis of the previously described method for optimization of one‐electron wave‐functions, a simple procedure has been developed to determine the ionization energies in atomic cases. The procedure gives all the ionization energies at once with relatively high accuracy. This is pos