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Resonance in the Hydrogen Molecule

Pauling, Linus (1952) Resonance in the Hydrogen Molecule. Journal of Chemical Physics, 20 (6). p. 1041. ISSN 0021-9606. doi:10.1063/1.1700627.

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In a recent paper (1) Mueller and Eyring have discussed the normal state of the hydrogen molecule with use of a variation function constructed in the usual Heitler-London manner, except with replacement, for each electron, of the hydrogen-atom function about atom a, exp(-Z'ra/ao), byt the more complex function φa = exp(-Z'ra/ao)exp(-Z''rb/a0). The authors call one-electron functions of this sort semilocalized orbitals. They have compared the value of the bond energy calculated for the wave function [...], with those given by the simple atomic orbital method and the molecular orbital method, and have pointed out that there is an improvement to 4.20 ev, from the values 3.76 ev and 3.60 ev, respectively

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Additional Information:Copyright © 1952 American Institute of Physics. Received March 21, 1952. Gates and Crellin Laboratories of Chemistry, Contribution No. 1664.
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Gates and Crellin Laboratories of Chemistry1664
Issue or Number:6
Record Number:CaltechAUTHORS:PAUjcp52b
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:11966
Deposited By: Archive Administrator
Deposited On:14 Oct 2008 23:03
Last Modified:08 Nov 2021 22:23

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