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Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3

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Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3
Παπαδόπουλος, Μάνθος Γ.
Luis, Josep M.
Ραϊς, Χεριμπέρτ
Kirtman, Bernard
Άρθρο σε επιστημονικό περιοδικό
2009-07-21
A general reduced dimensionality finite field nuclear relaxation method for calculating vibrational nonlinear optical properties of molecules with large contributions due to anharmonic motions is introduced. In an initial application to the umbrella (inversion) motion of NH3 it is found that difficulties associated with a conventional single well treatment are overcome and that the particular definition of the inversion coordinate is not important. Future applications are described.
MELVILLE
Φυσική (EL)
Physics (EN)
nonlinear optics
vibrational states
ammonia
Physics, Atomic, Molecular & Chemical
English
American Institute of Physics
Journal of Chemical Physics
© AMER INST PHYSICS
© AMER INST PHYSICS (EN)
National Hellenic Research Foundation (NHRF)
Helios - Repository of the National Hellenic Research Foundation (NHRF)



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