next up previous contents index
Next: Static and frequency-dependent dipole Up: Examples of coupled cluster Previous: First-order property calculation   Contents   Index

Static and frequency-dependent dipole polarizabilities and corresponding dispersion coefficients

The following input describes the calculation of the electric dipole polarizability component $\alpha_{zz}(\omega)$, for $\omega = 0.00$ and $\omega=0.072$ au, and its dispersion coefficients up to order 6, in the hierarchy of CC models CCS, CC2 and CCSD. The calculation of the electric dipole moment has been included in the same run.

**DALTON INPUT
.RUN WAVE FUNCTIONS
**INTEGRALS
.DIPLEN
**WAVE FUNCTIONS
.CC
*CC INPUT
.CCS              
.CC2             
.CCSD
*CCFOP
.DIPMOM
*CCLR
.OPERATOR
ZDIPLEN ZDIPLEN
.FREQUENCIES
  2
0.00  0.072
.DISPCF
  6
**END OF DALTON INPUT



Dalton Manual - Release 1.2.1