Subject: CCL: question on TDDFT using Gaussian 03

From: Ricardo Oliveira <organicjewellery(at)yahoo.com>
Date: Wed, 1 Dec 2004 02:42:30 -0800 (PST)

Hello everyone,

I am having a problem with identifying those numbers
on the right hand side of the transitions.

Below there is an extract from an output file from a
TDDFT (LSDA) calculation on
pyridine.***************************

 Excited State   3:   ?Spin  -A'     4.5362 eV  273.32
nm  f=0.0016
     22A -> 26A        0.79830
     20B -> 22B        0.60419
     21B -> 23B       -0.25908

***********************
 The number of the excited state (3) along with its
energy (4.5362 eV) and corresponding wavelength are
given above. The letter f represents the oscillator
strenght.

The question is: what are those other 3 numbers :

 0.79830    0.60419       -0.25908   ??

Regards and thanks

_________________________
Ricardo Oliveira
University of Sussex
School of Life Sciences
Chichester 3R 504
phone: (44) 1273678419
email: kau43(at)sussex.ac.uk
web: http://84.66.141.119/sitePhD/indexl.htm
Falmer - Brighton
UK

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