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

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

Résumé

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.

langue originale	Anglais
Pages (de - à)	45-49
Nombre de pages	5
journal	Chemical Physics Letters
Volume	5
Numéro de publication	1
Les DOIs	https://doi.org/10.1016/0009-2614(70)80126-9
état	Publié - 15 févr. 1970
Modification externe	Oui

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10.1016/0009-2614(70)80126-9

Contient cette citation

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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.",

author = "\{Woodrow Wilson\}, C. and Goddard, \{William A.\}",

year = "1970",

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AU - Woodrow Wilson, C.

AU - Goddard, William A.

PY - 1970/2/15

Y1 - 1970/2/15

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.

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

Résumé

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