[molpro-user] ABSORPTION SPECTRA
grant.hill at sheffield.ac.uk
Wed Feb 21 08:40:27 CET 2018
I use a simple Python script for this: http://www.grant-hill.group.shef.ac.uk/plot-uv.html <http://www.grant-hill.group.shef.ac.uk/plot-uv.html>
You need to copy/paste excitation energies and oscillator strengths into the script.
> On 20 Feb 2018, at 08:57, Meera Cheviri <meeracheviri at gmail.com> wrote:
> I am trying to plot absorption spectra for local CC2 calculation. can anyone help me with a working examples or commands.
> Meera Cheviri
> Research scholar
> ASL,Department of Physics
> Bharathiar University
> Coimbatore. 641046
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> Molpro-user at molpro.net
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