Author/Authors :
Matsumura، نويسنده , , Yoshihiro and Iida، نويسنده , , Kenji and Sato، نويسنده , , Hirofumi، نويسنده ,
Abstract :
The ionization and excitation processes of aniline in aqueous solutions are investigated by the method of RISM-SCF-SEDD (reference interaction site model self-consistent field with the spatial electron density distribution). Four different models are employed to characterize the response of the solvation upon the ionization and excitation. A simple treatment for estimation of the spectral width is also proposed.