[Wien] radial derivative of core electron wave functions in lcore?

Jorissen Kevin kevin.jorissen at ua.ac.be
Wed Jun 20 00:46:00 CEST 2007


Hi everyone,
 
does anyone know if the lcore program calculates the radial derivatives of the radial wave functions of the core electrons?  Eg., d u / dr, where u(r) would be the radial part of, say, the 1s wave function.
Seems like it should be somewhere in there, but the spaghetti is so hard to read ...
 
Thanks!
 
Kevin.
 
 
 
Kevin Jorissen
University of Washington
Dept. of Physics
Box 351560
Seattle, WA-98195-1560
U.S.A.
 
phone +1 206 543 3904 
fax +1 206 685 0635 
e-mail kevin.jorissen at ua.ac.be 
web page http://fraangelico.phys.washington.edu/~jorissen
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