Page 115 - Strategies and Applications in Quantum Chemistry From Molecular Astrophysics to Molecular Engineer

100 W. KUTZELNIGG
Limitation to the term with l = 1 (which dominates for sufficiently small h and the
same phase averaging as in appendix D leads to [24,25]

For small h this goes as

The condition analogous to (D.11a) is

Like for the last example the optimum h goes as and the error as
The convergence is slower than for the same function with an equidis-
tant grid, but both h and ε are (on this level of approximation) independent of
i.e. essentially the same grid can be used for a very steep or a very flat Gaussian.
there is only a shift via the a-dependence of and

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