Logarithmic energy functions in z-1 perturbation theory

M. Cohen; R. P. McEachran

doi:10.1016/0009-2614(81)80420-4

Logarithmic energy functions in z^-1 perturbation theory

M. Cohen^*
, R. P. McEachran

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

We exploit some known relationships between the nuclear attraction, interelectronic repulsion, and total non-relativistic energies of atoms as functions of the nuclear charge. By approximation the component energies by means of padé approximants, we obtain compact and reliable total energy functions, which contain logarithmic terms, for several isoelectronic sequences.

Original language	English
Pages (from-to)	622-626
Number of pages	5
Journal	Chemical Physics Letters
Volume	84
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(81)80420-4
State	Published - 15 Dec 1981

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title = "Logarithmic energy functions in z-1 perturbation theory",

abstract = "We exploit some known relationships between the nuclear attraction, interelectronic repulsion, and total non-relativistic energies of atoms as functions of the nuclear charge. By approximation the component energies by means of pad{\'e} approximants, we obtain compact and reliable total energy functions, which contain logarithmic terms, for several isoelectronic sequences.",

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AU - McEachran, R. P.

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N2 - We exploit some known relationships between the nuclear attraction, interelectronic repulsion, and total non-relativistic energies of atoms as functions of the nuclear charge. By approximation the component energies by means of padé approximants, we obtain compact and reliable total energy functions, which contain logarithmic terms, for several isoelectronic sequences.

AB - We exploit some known relationships between the nuclear attraction, interelectronic repulsion, and total non-relativistic energies of atoms as functions of the nuclear charge. By approximation the component energies by means of padé approximants, we obtain compact and reliable total energy functions, which contain logarithmic terms, for several isoelectronic sequences.

UR - https://www.scopus.com/pages/publications/49049152593

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3

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Logarithmic energy functions in z^-1 perturbation theory

Abstract

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