Exchange kinetic energy, contragradience, and chemical binding

C. Woodrow Wilson; William A. Goddard

doi:10.1016/0009-2614(70)80126-9

Exchange kinetic energy, contragradience, and chemical binding

C. Woodrow Wilson
, William A. Goddard

California Institute of Technology

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

Abstract

The energy components of the G1 wavefunction for H₂ are carefully analyzed. It is found that the binding is dominated by the exchange part of the kinetic energy and that this term is dominant because of the contragradience of the orbitals in the bond region.

Original language	English
Pages (from-to)	45-49
Number of pages	5
Journal	Chemical Physics Letters
Volume	5
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(70)80126-9
Publication status	Published - 15 Feb 1970
Externally published	Yes

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title = "Exchange kinetic energy, contragradience, and chemical binding",

abstract = "The energy components of the G1 wavefunction for H2 are carefully analyzed. It is found that the binding is dominated by the exchange part of the kinetic energy and that this term is dominant because of the contragradience of the orbitals in the bond region.",

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AU - Goddard, William A.

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N2 - The energy components of the G1 wavefunction for H2 are carefully analyzed. It is found that the binding is dominated by the exchange part of the kinetic energy and that this term is dominant because of the contragradience of the orbitals in the bond region.

AB - The energy components of the G1 wavefunction for H2 are carefully analyzed. It is found that the binding is dominated by the exchange part of the kinetic energy and that this term is dominant because of the contragradience of the orbitals in the bond region.

UR - https://www.scopus.com/pages/publications/49849108012

U2 - 10.1016/0009-2614(70)80126-9

DO - 10.1016/0009-2614(70)80126-9

M3 - Article

AN - SCOPUS:49849108012

SN - 0009-2614

VL - 5

SP - 45

EP - 49

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

ER -

Exchange kinetic energy, contragradience, and chemical binding

Abstract

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