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<html><head><meta http-equiv="content-type" content="text/html; charset=UTF-8"></head><body style="font-family:Arial;font-size:14px"><p>Dear Molpro Users and Developers:<br><br>
I am trying to calculate nuclear coordinate dependent quantities<br>
that are averages of various electronic coordinate dependent<br>
operators. For example, derivative operator with respect to electronic<br>
coordinates.<br><br>
I would like to know how to obtain the analytic form of the electronic<br>
wave function at each nuclear coordinate and their associated<br>
coefficients as Molpro output.<br><br>
Thanks in advance.<br><br>
with regards,<br><br>
Bijit Mukherjee</p><div>
<br><br>
-----------------------------------------------------------------------------------<br>
Bijit Mukherjee<br>
Senior Research Fellow<br>
Supervisor: Prof. Satrajit Adhikari<br>
Department of Physical Chemistry<br>
Indian Association for the Cultivation of Science<br>
2A & 2B Raja S C Mullick Road, Jadavpur<br>
Kolkata 700032, INDIA.<br><br>
Phone: 91-33-2473 4971, Lab Extensions - 2119<br><br>
email: stbm@iacs.res.in<br>
bijit.9791@gmail.com</div></body></html>