Non-Condon effects in photodissociation of ICN((A)over-tilde<-(X)over-tilde): Coupled-channel scattering calculations

被引:13
|
作者
Dzegilenko, FN
Bowman, JM
Amatatsu, Y
机构
[1] EMORY UNIV,CHERRY L EMERSON CTR SCI COMPUTAT,ATLANTA,GA 30322
[2] AKITA UNIV,DEPT CHEM,AKITA 010,JAPAN
关键词
D O I
10.1016/S0009-2614(96)01319-X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Coupled-channel scattering calculations of the ICN((A) over tilde <-- (X) over tilde) photodissociation are performed by taking into account an explicit dependence of the electronic transition dipole moment on the internuclear coordinates, a new diabatic coupling between the (1) Pi(1)(5A') and (3) Pi(0+)(4A') excited electronic states, and a new potential energy surface, Total and partial photodissociation cross sections are calculated for several total energies and for ICN in the ground and first two excited bend vibrational states. The results are compared with our previous calculations with constant transition dipole.
引用
收藏
页码:24 / 30
页数:7
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