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Nonlinear optical properties of H sub 2 and D sub 2

Journal Article · · Journal of Chemical Physics; (USA)
DOI:https://doi.org/10.1063/1.458072· OSTI ID:7188441
; ;  [1]
  1. Department of Chemistry, University of Ottawa, Ottawa, K1N 6N5 Canada (CA)

Accurate wave functions of the James--Coolidge type, which account for electron correlation, are used to calculate for H{sub 2} and D{sub 2} the dynamic second hyperpolarizabilities ({gamma}) which mediate the nonlinear optical processes: dc Kerr, dc electric-field-induced second-harmonic generation and third-harmonic generation. Values are given for a range of frequencies ({omega}=0 to {omega}=0.05 a.u.) as well as for some common laser frequencies. The effects of vibration are explicitly considered. As well, values of the dynamic field-gradient polarizabilities {ital B} and {ital C} are found. The results are more accurate than those previously published.

OSTI ID:
7188441
Journal Information:
Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 92:3; ISSN JCPSA; ISSN 0021-9606
Country of Publication:
United States
Language:
English