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The polarizabilities of neonThe static dipole polarizability, second hyperpolarizability, quadrupole polarizability and dipole-dipole-quadrupole hyperpolarizability for the Ne atom are computed, using large Gaussian basis sets and coupled cluster wavefunctions. Correlation effects are substantial, ranging from 15 percent for the dipole polarizability to 40 percent for the second hyperpolarizability. It is confirmed by explicit calculation earlier hypotheses that g-type and higher angular momentum functions and core correlation effects make almost no contribution to these properties in Ne. Triple excitations, on the other hand, are very important, accounting for as much as 25 percent of the correlation contribution to the second hyperpolarizability. The best estimate of the second hyperpolarizability is 119 + or - 4 au, in good agreement with the recent calculations of Maroulis and Thakkar (1989) and the latest experimental result of Shelton (1989).
Document ID
19900040578
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Taylor, Peter R.
(Eloret Institute Sunnyvale, CA, United States)
Lee, Timothy J.
(NASA Ames Research Center Moffett Field, CA, United States)
Rice, Julia E.
(IBM Almaden Research Center San Jose, CA, United States)
Almlof, Jan
(Minnesota, University Minneapolis, United States)
Date Acquired
August 14, 2013
Publication Date
November 17, 1989
Publication Information
Publication: Chemical Physics Letters
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
90A27633
Funding Number(s)
CONTRACT_GRANT: NSF CHE-86-10809
CONTRACT_GRANT: NCC2-371
Distribution Limits
Public
Copyright
Other

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