Derivation of theoretical formulas for resonance integrals from Heisenberg equation of motion

✍ Scribed by Józef Lipiński; Jerzy Leszczyński

• Book ID: 104580677
• Publisher: John Wiley and Sons
• Year: 1982
• Tongue: English
• Weight: 416 KB
• Volume: 22
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560220204

✦ Synopsis

Abstract

On the basis of the Heisenberg equation of motion and the Linderberg–Seamans approximations, useful formulas for, β‐resonance integrals in the all‐valence NDO‐like semiempirical methods have been derived. The case of s, p, d basis sets of atomic orbitals has been considered.