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Atom–atom potentials via electron gas theory

Authors: Mark A. Spackman;

Atom–atom potentials via electron gas theory

Abstract

The Gordon–Kim electron gas model is used to derive a set of short range repulsive potentials for homoatomic pairs containing atoms up to Kr. These potentials correlate extremely well with experimental van der Waals and nonbonded radii. Single exponential fits to the repulsive potentials are given, and are combined with an approximate dispersion energy term derived from experimental and theoretical atomic dipole polarizabilities and C6 constants to form a set of internally consistent atom–atom potentials of the exp-6 form.

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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!
156
Top 10%
Top 1%
Top 10%
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