User's guide [view]
bdfeasyinput [view]
autofrag [view]
bdfopt [view]
Ground-state opt [view]
Excited state opt [view]
Conical intersection [view]
Intersystem crossing [view]
Transition state [view]
compass [view]
drt [view]
Elecoup [view]
expandmo [view]
genfrag [view]
grad [view]
numgrad [view]
mcscf [view]
mp2 [view]
mrci [view]
localmo [view]
scf [view]
tddft [view]
Closed-shell Systems : R-TD-DFT [view]
Open-shell Systems : U-TD-DFT and spin-adapted TD-DFT for spin-conserving excitations [view]
TD-DFT with spin-flip calculations [view]
Open-shell Systems : Spin-flip TD-DFT for spin-flip excitations [view]
TD-DFT with SOC [view]
TD-DFT with SOC: open-shell systems [view]
vgmfci [view]
xuanyuan [view]
resp [view]
Traint [view]
xianci [view]
nmr [view]
PCMinput [view]
bdffrag [view]