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MCSCF calculation of the frequency-dependent hyperpolarizability of the lithium atom

✍ Scribed by Michał Jaszuński; Antonio Rizzo

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
462 KB
Volume
60
Category
Article
ISSN
0020-7608

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✦ Synopsis

The second electric dipole hyperpolarizability of the lithium atom is calculated using a series of multiconfiguration SCF wave functions with an increasing number of active space orbitals. In agreement with other recent calculations, we find a very large correlation correction to the hyperpolarizability. We analyze the frequency dependence of the dc Kerr hyperpolarizabily y K ( w ) = y ( -w ; w , 0,O) and observe very significant dispersion effects.

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