d8d9.rac

Inputfile for TT-RAC in case of a charge transfer calculation. A series of 4 inputs are given for respectively:

The dipole transition from 3d8 to 2p53d9

The dipole transition from 3d9L to 2p53d10L

Mixing of the ground state

Mixing of the final state

Y
    % vertical 1 1
 racer O3
 TO    OH
 ENDCHAIN
 ACTOR   1- MULTIPOLE   TRANSI
   OPER     MULTIPOLE
     BRANCH  1- > 0 1-  1.000
 ACTOR   0+ HAMILTONIAN GROUND
 ACTOR   0+ 10Dq        GROUND
 ACTOR   0+ HAMILTONIAN EXCITE
 ACTOR   0+ 10Dq        EXCITE
RUN
      % vertical 2 2
 racer O3
 TO     OH 
 ENDCHAIN
 ACTOR   1- MULTIPOLE   TRANSI
   OPER     MULTIPOLE
     BRANCH  1- > 0 1-  1.000
 ACTOR   0+ HAMILTONIAN GROUND
 ACTOR   0+ 10Dq        GROUND
 ACTOR   0+ HAMILTONIAN EXCITE
 ACTOR   0+ 10Dq        EXCITE
RUN
     % horizontal ground   1 2
 racer O3
 TO    OH    
 ENDCHAIN
 ACTOR   0+ eghybr      TRANSI
   OPER     MULTIPOLE
     BRANCH  0+ > 0 0+   .894427191    
     BRANCH  4+ > 0 0+  3.286335345
 ACTOR   0+ t2ghybr     TRANSI
   OPER     MULTIPOLE
     BRANCH  0+ > 0 0+  1.341640787    
     BRANCH  4+ > 0 0+ -3.286335345   
 ACTOR   0+ HAMILTONIAN GROUND
   OPER     HAMILTONIAN
     BRANCH  0+ > 0 0+  1.000
 ACTOR   0+ 10Dq        GROUND
   OPER     SHEll2
     BRANCH  4+ > 0 0+  3.286335345
 ACTOR   0+ HAMILTONIAN EXCITE
   OPER     HAMILTONIAN
     BRANCH  0+ > 0 0+  1.000
 ACTOR   0+ 10Dq        EXCITE
   OPER     SHEll2
     BRANCH  4+ > 0 0+  3.286335345
   RUN
    %  horizontal excite 1 2
 racer O3
 TO     OH    
 ENDCHAIN
 ACTOR   0+ eghybr      TRANSI
   OPER     MULTIPOLE
     BRANCH  0+ > 0 0+   .894427191
     BRANCH  4+ > 0 0+  3.286335345
 ACTOR   0+ t2ghybr     TRANSI
   OPER     MULTIPOLE
     BRANCH  0+ > 0 0+  1.341640787
     BRANCH  4+ > 0 0+ -3.286335345
 ACTOR   0+ HAMILTONIAN GROUND
   OPER     HAMILTONIAN
     BRANCH  0+ > 0 0+  1.000
 ACTOR   0+ 10Dq        GROUND
   OPER     SHEll2
     BRANCH  4+ > 0 0+  3.286335345
 ACTOR   0+ HAMILTONIAN EXCITE
   OPER     HAMILTONIAN
     BRANCH  0+ > 0 0+  1.000
 ACTOR   0+ 10Dq        EXCITE
   OPER     SHEll2
     BRANCH  4+ > 0 0+  3.286335345
RUN