Re: Relativistic correction for lanthanides, try # 2

 Dear Dr. Janicki,
 The easiest way to treat the relativistic effects is to use a
 relativistic ECP (i.e., one derived from an all-electron
 Dirac Hartree Fock calc).  We have developed and tested
 an ECP scheme for the lanthanides in collab. with Walt
 Stevens ;at; NIST.  In my opinion, however, the best work in
 this area has been done by Drs. Dolg, Preuss, Stoll and
 their cowrokers ;at; Stuttgart.  Ermler et al. have recently
 reported a Ln ECP scheme.
 If you're dedicated to all-electron calcs I would suggest
 the following review by Pyykko.
 P Pyykko Chem. Rev. 1988, 88, 563.
 Tom Cundari
 Associate Professor
 =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
 Tom Cundari                                           Department of Chemistry
 Associate Professor                                The University of Memphis
 e-mail:tcundari;at;cc.memphis.edu           Memphis, TN 38152-6060
 phone: 901-678-2629
 FAX: 901-678-3447
 http://www.chem.memphis.edu/umchem.html
 ****  U of Memphis is searching for an Asst. Prof. of Computational
            Chemistry,  contact me by email for details or see these URLs
           www.chem.memphis.edu/ccad.html
           www.chem.memphis.edu/ccletter.html         ****
  =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+