*HAMILTONIAN

Purpose:

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

.FIELD TERM

Default = no fields.
READ (LUINP,*) EFIELD(NFIELD)
READ (LUINP,*) LFIELD(NFIELD)
Enter field strength (in atomic units) and property label on separate lines where label is a MOLECULE-style property label on file AOPROPER produced by the property program module, see Chapter 22. The calculation of the necessary property integral(s) must be requested in the "**INTEGRALS" input module.
NOTE: This keyword may be repeated several times for adding more than one finite field (max 20 fields).

.PRINT

Default = 0.
READ (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 AOPROPER with the specified label.