A simple quantum mechanical model for deriving the energy function of n-component systems

Dietmar Dorninger and Maciej Mączyński

Mathematics and Computers in Simulation (MATCOM), 2004, vol. 66, issue 2, 173-179

Abstract: We consider general systems consisting of n components, like chemical compounds of n atoms, ensembles of n molecules or any kind of network comprising n knots on a microscopic (or even macroscopic) level, together with forces centrally binding to components or due to interactions, whose quantities are known. From these quantities, we derive an energy function that represents the energy of the whole ensemble without making use of the Hamiltonian operator.

Keywords: HMO-theory; Molecular orbitals; Energy of n-component systems; Concepts of stability; Stability of chemical compounds (search for similar items in EconPapers)
Date: 2004
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Persistent link: https://EconPapers.repec.org/RePEc:eee:matcom:v:66:y:2004:i:2:p:173-179

DOI: 10.1016/j.matcom.2003.11.003

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