Ab initio scaling of the second hyperpolarizabilities of carbon cages

Fanti, Marianna; Fowler, Patrick W.
October 1997
Journal of Chemical Physics;10/1/1997, Vol. 107 Issue 13, p5072
Academic Journal
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.


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