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Assignments in the electronic spectrum of water

Yeager, Danny and McKoy, Vincent and Segal, G. A. (1974) Assignments in the electronic spectrum of water. Journal of Chemical Physics, 61 (3). pp. 755-758. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120814-085344931

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Abstract

To explain the inelastic feature at 4.5 eV in the spectrum of water and to study its spectrum in some detail, we have carried out several calculations on the excited states of water using the equations‐of‐motion method. We conclude that the calculated vertical excitation energy of 6.9 eV for the ^3B_1 state corresponds to the strong feature at 7.2 eV observed in low‐energy electron scattering spectrum. The 4.5 eV inelastic process almost certainly does not correspond to a vertical excitation of water at the ground state geometry. The other excitation energies and oscillator strengths agree well with experiment.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.1682013DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v61/i3/p755_s1PublisherUNSPECIFIED
Additional Information:© 1974 American Institute of Physics. Received 3 October 1973. Online Publication Date: 22 August 2003. Contribution No. 4768. Alfred P. Sloan Foundation Fellow.
Funders:
Funding AgencyGrant Number
Alfred P. Sloan Foundation Fellowship UNSPECIFIED
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Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics4768
Record Number:CaltechAUTHORS:20120814-085344931
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120814-085344931
Official Citation:Assignments in the electronic spectrum of water Danny Yeager, Vincent McKoy, and G. A. Segal J. Chem. Phys. 61, 755 (1974); http://dx.doi.org/10.1063/1.1682013
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33155
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:14 Aug 2012 16:58
Last Modified:26 Dec 2012 15:58

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