Masayoshi NAKANO* (*Osaka Univ.), Yoichi MATSUZAKI (Nippon Steel Corp.), Hidemi NAGAO, Satoru YAMADA*, Isamu SHIGEMOTO* and Kizashi YAMAGUCHI*
[Chem. Phys. Lett. 258, 307 (1996)]
A method is developed for a nonperturbative calculation of nonlinear optical susceptibilities for specific systems such as low-density gases or single molecule systems, including effects of nuclear motion, Nuclear motion is treated quantum-mechanically by wave packet dynamics with population damping effects. As an example, the effects of temperature and mass on the third-order susceptibilities for a three-atom cation model system are examined.