ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The calculations of frequency-dependent second hyperpolarizabilities for the (static) electric field induced second harmonic generation (ESHG) [γ(−2ω;ω,ω,0)] of the FH, H2O, CO, and NH3 molecules in the second-order Møller–Plesset perturbation theory (MP2) based on the quasienergy derivative (QED) method are performed by numerical differentiation of frequency-dependent first hyperpolarizabilities for the second harmonic generation (SHG) [β(−2ω;ω,ω)] with respect to static electric fields. The QED-MP2 values of the ESHG second hyperpolarizabilities γ(parallel)(−2ω;ω,ω,0) of the H2O, CO, and NH3 molecules show good agreement with the experimental values. © 1999 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.479370
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