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The Journal of Chemical Physics
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The Virial and Molecular Structure

The virial and molecular structure
Authors: Slater, J. C.;

The Virial and Molecular Structure

Abstract

The virial theorem can be applied to a molecule, assuming that external forces are applied to keep the nuclei fixed. The mean electronic kinetic energy is then the negative of the mean total internal energy, plus a term arising from the virial of the external force. Since the external force is derivable from the knowledge of the total internal energy as function of nuclear position, this theorem gives a means of finding kinetic and potential energy separately for all configurations of the nuclei, as soon as the total energy is known, from experiment or theory. By using simple forms of curve for total energy, for the diatomic molecule, the kinetic and potential energy are derived and discussed. The curves give direct indication of the formation of the covalent bond, in cases where this occurs, by describing the removal of charge from the atoms to the region between the atoms, with resulting decrease of kinetic energy, increase of potential energy.

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quantum theory

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
357
Top 1%
Top 0.1%
Average
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