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hfs Program Structure

The program structure is shown on Figure  7.37. The configurations are analyzed for orthogonality (cfgn(), cfg01()). factr() computes a table of logarithms of factorials. readwt() reads the weight from .l or .j file. A number of $L_{j}, S_{j}, L_{k}, S_{k}$ and $J$ dependent factors are determined in lsjfact(). The wave functions are read in readwfn(). The one-electron active radial integrals are determined in radial1() and radial2(). multwt() multiplies the weights of configuration $j$ and $k$. setup() transforms the occupation and coupling for a configuration pair in a format suitable for use by tensor(), which evaluates the reduced matrix element between arbitrarily LS coupled configurations.

Figure 7.37: hfs program structure.
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2001-10-11