##master-page:HelpTemplate ##master-date:Unknown-Date #format wiki #language en #Please change following line to BDF module name = vgmfci = <> {{{ Vgmfci perform vibrational general mean field calculations for diatom molecule. The none-adabatic calculate is performed and nuclear wave function is expanded by eigen-fucntion of Kratzer potential. }}} == General keywords == === EMETHOD === {{{#!wiki Specify electron structure calculation method. Supported methods are SCF, MCSCF and MRCI. For MCSCF, molecular orbitals are not optimized in MCSCF level. However, the CAS-CI (complete active space CI) is performed as the full CI calculation. }}} === Nstate === {{{#!wiki Number of states will be printed and analyzed. }}}