Issue No.01 - January/February (2001 vol.3)
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/5992.895186
This 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.
Symbolic computation, quantum mechanics, many-body perturbation theory
Warren F. Perger, Min Xia, Ken Flurchick, Mohammad I. Bhatti, "Integrating Symbolic and Numeric Techniques in Atomic Physics", Computing in Science & Engineering, vol.3, no. 1, pp. 38-47, January/February 2001, doi:10.1109/5992.895186