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This simple tool displays the overlap of two wavefunctions.

Computational complexity: {$L m^3 d$}

usage: mp-overlap <psi1> <psi2>

The wavefunctions must have a compatible local basis. If the wavefunctions don't have the same quantum number, the overlap is zero.

The overlap of a wavefunction with itself is a slow equivalent of mp-norm2.

See also

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Page last modified on December 18, 2006, at 01:22 AM