On the exponential model for energy with respect to number of electrons
Author
dc.contributor.author
Fuentealba Rosas, Patricio
Author
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Cárdenas Valencia, Carlos
es_CL
Admission date
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2014-03-06T19:50:56Z
Available date
dc.date.available
2014-03-06T19:50:56Z
Publication date
dc.date.issued
2013
Cita de ítem
dc.identifier.citation
J Mol Model (2013) 19:2849–2853
en_US
Identifier
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DOI 10.1007/s00894-012-1708-5
Identifier
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https://repositorio.uchile.cl/handle/2250/119779
General note
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Artículo de publicación ISI
en_US
Abstract
dc.description.abstract
Using an exponential model for the variation in
energy with respect to the number of electrons it is shown
that, within the model, the hardness, softness, electrophilicity
and other global parameters connected to higher order derivatives
follow an equalization principle after a molecule is
formed from two separated species. Two generalizations of
the model are also discussed, one of which presents discontinuity
of the chemical potential at integer values of N.