manual   quickstart   instguide   update   basis

Next: 38.5.4 Examples Up: 38.5 Finite field calculations Previous: 38.5.2 Quadrupole fields (QUAD)   Contents   Index   PDF


38.5.3 General fields (FIELD)

FIELD,oper1,fac1, oper2,fac2, ...;
FIELD+,oper1,fac1, oper2,fac2, ...;

Adds one-electron operators oper1, oper2, ...with the corresponding factors fac1, fac2, ...to the one-electron hamiltonian. The available operators are given in section 6.13. An error will result if the added perturbation is not totally symmetric (symmetry 1).

FIELD+ adds to any existing field, otherwise any previous field is removed.

Note that FIELD does currently not modify core polarization potentials (CPP). If CPPs are present, only DIP and QUAD should be used.



molpro@molpro.net 2017-12-15