[molpro-user] Plotting of the radial distribution of the wavefunction

Robert Polly polly at kit.edu
Mon Mar 2 12:37:10 GMT 2015


Dear MOLPRO users,
is anybody aware how to get the radial distribution of the wavefunction
from the densities for a plot?

I really appreciate your help,
Robert

-- 

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Karlsruher Institut für Technologie (KIT)
Institut fuer Nukleare Entsorgung

Dr. Robert Polly

Quantenchemie

Institut fuer Nukleare Entsorgung (INE), Campus Nord, Gebaeude 712,
Postfach 3640, 76021 Karlsruhe, Germany

0049-(0)721-608-24396

email: polly at kit.edu
www:   http://www.fzk.de/ine

KIT - Universität des Landes Baden-Württemberg und
nationales Großforschungszentrum in der Helmholtz-Gemeinschaft

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