swMATH ID: 7530
Software Authors: Avery, James; Avery, John
Description: The generalized Sturmian method The generalized Sturmian method makes use of basis sets that are solutions to an approximate wave equation with a weighted potential. The weighting factors are chosen in such a way as to make all the members of the basis set isoenergetic. In this chapter we will show that when the approximate potential is taken to be that due to the attraction of the bare nucleus, the generalized Sturmian method is especially well suited for the calculation of large numbers of excited states of few-electron atoms and ions. Using the method we shall derive simple closed-form expressions that approximate the excited state energies of ions. The approximation improves with increasing nuclear charge. The method also allows automatic generation of near-optimal symmetry adapted basis sets, and it avoids the Hartree-Fock SCF approximation. Programs implementing the method may be freely downloaded from our website, url{sturmian.kvante.org} [1].
Homepage: http://sturmian.kvante.org/
Related Software: molsturm; CRYSCOR; SIMPL; reszeta.lib; PDEtools; KSSOLV; cross2D; IsaMorph; deal.ii; DIRECT; CometBoards; GAUSSIAN; CUDA; LAPACK; ADF; STOP; Mathematica; RADWEQ
Cited in: 14 Publications

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