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Integrating symbolic and numeric techniques in atomic physics

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4 Author(s)
Perger, W.F. ; Michigan Technol. Univ., Houghton, MI, USA ; Xia, M. ; Flurchick, K. ; Bhatti, M.I.

The article describes ISNAP, a program for calculating atomic properties that uses an integrated symbolic and numerical approach for arbitrary excitations from closed-shell atoms. This program generates transition matrix elements and energy formulas up to third-order perturbation via the symbolic programming language Mathematica.

Published in:

Computing in Science & Engineering  (Volume:3 ,  Issue: 1 )