[CP2K:3057] Electric field and intensity of the electric field for molecular optical properties
chenh... at gmail.com
Thu Jan 13 15:47:04 CET 2011
That strength is equivalent to 1.0E6 in the CP2k input file.
Department of Chemistry
Evanston, IL 60208
On Thu, Jan 13, 2011 at 3:41 AM, Jose Javier Plata Ramos <
jjsil... at gmail.com> wrote:
> Dear all,
> I have read the paper "Classical Electrodynamics Coupled to Quantum
> Mechanics for calculation of Molecular Optical Properties" by Schatz
> et al. I would like to reproduce their simulated spectra of N3. In
> their article they mentioned that they use a magnitude for the
> electric field of 0.002745 V/nm. However in cp2k input you have to use
> the intensity of the electric field (W/cm^2) and the wavelength of
> the electric field. I would like to know how I could convert this
> value (0.002745 V/nm) to CP2K input values.
> Thank you in advance for your help.
> Best regards,
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