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*HAMILTONIAN  

Purpose:

Add extra terms to the Hamiltonian (for finite field  calculations).

.FIELD TERM  
Default = no fields.
SPMquotREAD (LUINP,*) EFIELD(NFIELD)"
SPMquotREAD (LUINP,'(1X,A8)') LFIELD(NFIELD)"
Enter field strength (in au) and label, where label is a MOLECULE-style property label produced by the property program, See Chapter gif.

.PRINT  
Default = 0.
SPMquotREAD (LUINP,*) IPRH1"
If greater than zero: print the one-electron Hamiltonian matrix, including specified field-dependent terms, in AO basis.

Comments:

Up to 20 simultaneous fields may be specified by repeating the ".FIELD TERM  " keyword.

The field integrals are read from file LUPROP with the specified label.



Kenneth Ruud
Sat Apr 5 10:26:29 MET DST 1997