= Closed-shell Systems : R-TD-DFT =


This gives a R-TD-DFT (imethod=1,itda=0) for singlet-singlet (isf=0) transitions using Davidson iterative diagonalization (idiag=1). 
In each irreducible representations, the lowest 10 states are calculated. 

{{{

$TDDFT
IMETHOD 
 1
ISF
 0
ITDA
 0
IDIAG
 1
iexit
10
$END

}}}

The algorithm used in TD-DFT is the same as in the ground state calculations. If direct SCF is used. 
{{{
$xuanyuan
directhf
$end
...
}}}
then TD-DFT also uses direct algorithm. The memory for JK operators can be changed by using MemJKOP.
{{{
$TDDFT
...
MemJKOP
 2048
...
$END
}}}

If the ERI is stored, then integral transformation should be carried out before TDDFT
{{{
$TRAINT
TDDFT (or UTDDFT for RO/U case)
ORBI
hforb
$END
}}}