ABSTRACT
In this talk we present a general variational scheme to find approximate solutions of the spectral problem for the vibration molecular Hamiltonian. It is called the “vibrational mean field configuration interaction” (VMFCI) method and includes as particular cases the vibrational self-consistent field (VSCF) and the vibrational configuration interaction (VCI) methods. The flexibility and efficiency of this new approach are demonstrated on molecules of atmospheric interest: water, ozone and methane.
