MO LCAO with fractional charges



 Dear Netters:
         We have a non-trivial problem.  Developing a method of semiempirical
 fragmentary MO LCAO calculations, we encounter the necessity to calculate the
 electronic structure of molecular systems with FRACTIONAL CHARGES.  So
 far, we couldn't find any existing method which can be easily adapted to
 include fractional charges; to our knowledge, all the known methods are
 reasonably assuming that the number of electron is integer.  Could anybody
 help us with suggestions or hints?  We promise to generalize the replies for
 the CCL.
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 Isaac B. Bersuker		 | E-mail:
 Welch 3.140			 | cmao771 - at - charon.cc.utexas.edu (prefered)
 Dept. of Chemistry	         | bersuker - at - eeyore.cm.utexas.edu
 Univeristy of Texas at Austin    | Phone: (512) 471-4671
 Austin, TX 78712 	         | Fax:   (512) 471-8696
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