New self-consistent theory of atoms: Toward a unified theory of atoms and atomic aggregates

✍ Scribed by Tohru Ogawa

• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: English
• Weight: 239 KB
• Volume: 18
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560180107

✦ Synopsis

Abstract

A variational theory is proposed where the distance dependence of two‐center integrals is semianalytically given and the outer‐shell orbitals are eigenfunctions of the one‐particle Schrödinger equations. It is useful in the attempt of unifying the theory of atoms and atomic aggregates such as molecules, microclusters, crystals, etc., especially in the problems of predicting their stable structures. The purpose of this theory is not to derive lower ground‐state energies but to obtain some useful wave functions for the explanation of some tendencies of the atomic aggregates in the periodic table.