Dear ADF users

Does the calculated frequency dependent hyperpolarisabilities refer to the real values or the absolute values in cases where we have resonance enhancement and we expect the hyperpolarisabilities to be complex? I am comparing with experimental values from SHG experiments.

Kind Regards
Lefteris

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Lefteris Danos
School of Chemistry
Highfield
University of Southampton
Southampton
SO17 1BJ
UK
 
Tel : +44 (0) 2380 59 8334
Fax : +44 (0) 2380 59 3781

 
Email : ld4_at_soton.ac.uk
http://www.soton.ac.uk/~jgfchem
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Received on 2004-05-11 16:40:01