Electrical effects on the vibrational transitions of hydrogen fluoride due to hydrogen bonding and applied fields

Derivative Hartree-Fock (DHF) theory has been used to study the transition dipole moment of hydrogen fluoride in several hydrogen-bonded complexes and in the presence of applied fields. DHF is an open-ended, analytical means for finding energy derivatives with respect to any number of parameters, and large basis set calculations going through the seventh dipole hyperpolarizability (ninth derivative) are reported. Using multipole moments, multipole polarizabilities and hyperpolarizabilities, the intermolecular electrical influence on vibrational transitions is analyzed.