Subject: ECPs and the heavier elements

From: <[email-masked]>
Date: Sun, 23 Oct 1994 18:39:21 -0500 (CDT)

Hi,

	I am currently writing a chapter on effective core potential methods
for addressing the computational chemistry of the heavy elements for "Reviews
in Computational Chemistry."  I would like to incorporate a variety of ECP uses
in addition to those our group has focused on.
	Some areas of particular  interest, include

	a) all-electron vs. ECP calculations.
	b) comparison among different ECP schemes
	c) comparison of ECP schemes in which outer-core electrons are and are
not replaced by the potential.
	d) use of ECPs for calculation of molecular properties related to
electronic spectroscopy.
	e) anything else you think shows off the utility of ECPs for studying
the chemistry of the heavier elements!

	All comments, suggestions, references, and/or reprint/preprints are
greatly appreciated.

Sincerely,

Tom Cundari

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Thomas R. Cundari                         
Asst. Professor of Chemistry               
Computational Inorganic Chemistry Lab     
University of Memphis                     
Memphis, TN 38152                         
phone: 901-678-2629                       
fax:   901-678-3447                        
e-mail: [email-masked] <<<<<<<<<<<< Note new and improved e-mail!!!
http://www.memst.edu/chemistry/umchem.html
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