[CPMD-list] CPMD response functions calculations
MANUEL PEREZ JIGATO
mpj at fyslab.hut.fi
Fri Aug 23 17:41:55 CEST 2002
hi
i have seen some options in cpmd to compute response properties
and dipole moments.
magnetic responses for NMR seem to be clearly documented
is there any optical response or dynamical response/ dynamic
dielectric functions implemented
as a reference point i would mention a tddft paper on finite systems
apperaing in the publication list at the cpmd website:
Doltsinis NL, Sprik M
Electronic excitation spectra from time-dependent density
functional response theory using plane-wave methods
CHEM PHYS LETT 330 (5-6): 563-569 NOV 17 2000
i would appreciate any information on dynamical response (optical) on
periodic systems. ( i have the impresion that if cpmd can do magnetic
response, it must be able to do with no effort optical response).
regads
mpj
More information about the CPMD-list
mailing list