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

✍ Scribed by Józef Lipiński; Jerzy Leszczyński

Book ID: 105095342
Publisher: Springer
Year: 1983
Tongue: English
Weight: 383 KB
Volume: 63
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf01151607

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## 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.

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