From WILLIAMS@flint.bucknell.edu  Tue Jan 12 06:33:27 1993
Date: 12 Jan 1993 11:33:27 EST 
From: Brian Williams <WILLIAMS@flint.bucknell.edu>
Subject: COULOMB "CUT OFF" OR PSEDOPOTENTIALS
To: CHEMISTRY@ccl.net
Message-Id: <930112.11332696.012284@BUCKNELL.CP6>


I WOULD APPRECIATE SOME HELP/ADVICE ON THE FOLLOWING.  I HAVE FOUND
WHAT I BELIEVE TO BE AN EXACT ANALYTICAL SOLUTION TO A TYPE OF GENERALIZED
COULOMB POTENTIAL, WHERE THE DENOMINATOR OF THE COULOMB-LIKE TERM IN THE
POTENTIAL CONSISTS OF A "R + TAU" TERM, WHERE TAU CAN BE VARIED.  OTHER
TERMS IN THIS SOLVABLE QM POTENTIAL INVOLVE REPULSIVE TERMS THAT ARE 
MORE OR LESS RELATED TO AN ANGULAR MOMENTUM LIKE TERM.  AN EARLIER PAPER
REFERS TO THIS TYPE OF POTENTIAL AS A "CUT OFF" COLOMB POTENTIAL, AND
SOLVED A LESS GENERAL VERSION OF THE POTENTIAL THAN I THINK I HAVE SOLVED
HERE.  WHAT I WOULD LIKE TO KNOW IS WHETHER OR NOT A) THIS TYPE OF POTENTIAL
IS OF USE OR HAS BEEN USED IN MODELING ANY ATOMIC OR MOLECULAR SYSTEMS, AND
/OR B) WOULD THE WAVEFUNCTIONS SOLVING THIS POTENTIAL HAVE A POSSIBLE USE
AS A BASIS SET FOR COMPUTATIONAL PROBLEMS. MY BACKGROUND IS NOT IN COMPUTATIONAL CHEMISTRY, ALTHOUGH WHAT LITTLE I REMEMBER FROM MY COURSES IN QM SUGGESTS
TO ME THAT THIS SOLUTION MIGHT BE OF POSSIBLE USE IN MODELLING MULTI-ELECTRON ATOMS, WHERE THE VALENCE ELECTRONS ARE VIEWED AS BEING ATTRACTED AND REPELLED
BY A SCREENED COLOMB-LIKE POTENTIAL. AM I TOTALLY OFF BASE HERE? THE MAIN
REASON I AM ASKING THE NET FOR HELP IS THAT ALTHOUGH I AM MAINLY CONCERNED
WITH JUST TRYING TO FIND EXACTLY SOLVABLE QM POTENTIALS, I WOULD LIKE TO
FIND APPLICATIONS WHEREEVER POSSIBLE. THANKS IN ADVANCE FOR ANY HELP OF
OR LEADING LITERATURE REFERENCES. BRIAN WILLIAMS, WILLIAMS@BUCKNELL.EDU

BRIAN WILLIAMS, WILLIAMS@BUCKNELL.EDU