Name

CITRANS — Calculate and write transition dipole data between all calculated CI eigenstates instead of just between the primary CI eigenstate and the others.

Synopsis

 CITRANS 

Description

By default, only the transition dipole moments and corresponding oscillator strengths between the primary CI eigenstate and the other calculated CI eigenstates are calculated and printed. In order to get the transition dipoles and oscillator strenghs between all calculated CI eigenstates, i.e., the transition dipole and oscillator strength matrices, use the CITRANS keyword.

Abbreviation:

CITRA

Requires:

C.I. CISTATE ROOT

See also:

C.I., ROOT, CISTATE,