Subject: Matrix element <ground state|d/dq|excited state>

From: Ilya Logunov <[email-masked]>
Date: Fri, 15 Apr 94 01:03:49 -0500

Dear Netters,
Here is one more question concerning computation of matrix elements.  
I want to compute matrix element <ground state|d/dq|excited state>,  
where d/dq is a spatial derivative over a particular cartesian (or  
internal) nuclear coordinate. Is there any program that computes such  
matrix elements?

*********************************************************
Ilya Logunov
Theoretical Biophysics Group
Department of Chemistry and Beckman Institute
University of Illinois at U-C
[email-masked]
*********************************************************