Vibrational contributions to the second hyperpolarizability of CF4
نویسندگان
چکیده
منابع مشابه
Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers
Restricted Hartree–Fock 6-31G calculations of electrical and mechanical anharmonicity contributions to the longitudinal vibrational second hyperpolarizability have been carried out for eight homologous series of conjugated oligomers—polyacetylene, polyyne, polydiacetylene, polybutatriene, polycumulene, polysilane, polymethineimine, and polypyrrole. To draw conclusions about the limiting infinit...
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The frequency-dependent vibrational second hyperpolarizability of CH42nFn molecules with n 50 – 4 has been computed for the most common nonlinear optical ~NLO! processes by adopting the perturbation approach due to Bishop and Kirtman @J. Chem. Phys. 95, 2646 ~1991!#. These calculations have been performed by using the Sadlej atomic basis set with the Hartree-Fock technique as well as with the M...
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Expressions are derived for the vibrational second hyperpolarizability 1'" of SF 6' in the static limit and for the nonlinear-optical processes of the dc Kerr effect, electric-field-induced second harmonic generation (ESHO), and third harmonic generation (THO). These expressions give 1'" in terms of vibrational transition dipole, polarizability, and first hyperpolarizability matrix elements (f-...
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Polyacetylene (PA) polymers -(-CH=CH-), lead to large second hyperpolarizabilities (y) that increase with N. For small N the increase is quite rapid, eventually saturating (becoming linear in N) for N > N& Both experimental and theoretical attempts have been made to estimate N,Y,,. In 1994 this led to two Science papers, one obtaining NA, = 20 (semiempirical theory) and the other obtaining N,,,...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1987
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.453169