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Exchange kinetic energy, contragradience, and chemical binding

Wilson, C. Woodrow, Jr. and Goddard, William A., III (1970) Exchange kinetic energy, contragradience, and chemical binding. Chemical Physics Letters, 5 (1). pp. 45-49. ISSN 0009-2614.

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The energy components of the G1 wavefunction for H_2 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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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 1969 Published by Elsevier B.V. Received 13 January 1970. Partially supported by grants (GP-6965 and GP-15423) from the National Science Foundation. Arthur Amos Noyes Laboratory of Chemical Physics Contribution No. 3994
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NSF Predoctoral FellowshipUNSPECIFIED
Alfred P. Sloan FoundationUNSPECIFIED
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Arthur Amos Noyes Laboratory of Chemical Physics3994
Issue or Number:1
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ID Code:88070
Deposited By: Donna Wrublewski
Deposited On:20 Jul 2018 20:40
Last Modified:03 Oct 2019 20:02

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