CCL:G: EPR on excited states



 Sent to CCL by: Tanja van Mourik [tanja.vanmourik,,st-andrews.ac.uk]
 Dear CCL'ers,
 One of my colleagues is interested in the calculation of EPR parameters in
 electronically excited molecules. Does anyone know if there are programs
 available that can do such calculations? I have seen publications using Dalton
 to compute EPR parameters. Can it handle excited states, and if so, with which
 methods? Can Gaussian do EPR? I cannot find much in the manual about this, but
 there is some hint on such calculations in the description of the Output
 keyword.
 Any hints are appreciated.
 Best wishes,
 Tanja
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    Tanja van Mourik
    Royal Society University Research Fellow
    School of Chemistry, University of St. Andrews
    North Haugh, St. Andrews
    Fife KY16 9ST, Scotland (UK)
    email: tanja.vanmourik===st-andrews.ac.uk
    web:   http://chemistry.st-and.ac.uk/staffmember.php?id=tvm
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 University of St Andrews Webmail: https://webmail.st-andrews.ac.uk