TITLE

Ab initio scaling of the second hyperpolarizabilities of carbon cages

AUTHOR(S)
Fanti, Marianna; Fowler, Patrick W.
PUB. DATE
October 1997
SOURCE
Journal of Chemical Physics;10/1/1997, Vol. 107 Issue 13, p5072
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Discusses ab initio scaling of the second hyperpolarizabilities of carbon cages. Sum over molecular orbitals scheme in an ab initio basis set; Carbon cages available in macroscopic quantities; Range of nuclearities; Proposed scaling laws that lead to different values for systems with large numbers of carbon atoms; How fullerenes should have a larger response than polyenic systems.
ACCESSION #
4247305

 

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