= Response properties based on linear and quadratic response functions =

All the following tests can be found in '''bdf-pkg/tests/input/resp2014/2_rsp'''

== Properties from Linear Response Functions (LRF) ==
=== Ground-state polarizabilities: 1_polar_h2o/polar_h2o.inp ===

Frequency-dependent polarizability of H2O:

{{{

$COMPASS
TITLE
 h2o 
BASIS
 sto-3g
GEOMETRY
 O       0.00000000     -0.22490589      0.00000000
 H       1.45234993      0.89962357      0.00000000
 H      -1.45234993      0.89962357      0.00000000
end geometry
units
bohr
$END 

$XUANYUAN
$END

$SCF
RHF
charge
0 
spin
1
THRESHCONV
1.d-10 1.d-8
guess
hcore
$end

$resp
LINE
POLA
AOPER
 DIP-Z
BOPER
 DIP-Z
BFREQ
 3
 0.0 1.0 2.0 
#reduced
$end

}}}

=== Transition moment between ground state and excited state: <0|A|ex> ===
This part has already been contained in the TD-DFT module for the transition dipole moment
between the ground and excited states. '''Maybe in future there will be a subroutine for other kind of
properties'''.

== Properties from Quadratic Response Functions (QRF) ==
=== Ground-state Hyperpolarizabilities: 2_hyper_h2o ===
=== Two-photo absorption from single residues of QRF: 3_single_h2o ===
=== <S|r|S'> from double residues of QRF: 4_double_h2o_dpl ===
=== Phosphorescence from single residues of QRF: 5_phos_h2o ===
=== <T|r|T'> from single residues of QRF: 6_t_h2o_dpl ===
=== <T|Hso|T'> from double residues of QRF: 7_t_h2o_hso ===