30.2.3 The fixed amplitude ansatz (FIX)

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The diagonal ansatz is used and the amplitudes of the explicitly correlated configurations are determined by the wavefunction cusp conditions, i.e.

$\displaystyle T^{ij,1}_{ij}$	$\textstyle =$	$\displaystyle \frac{1}{2}$
$\displaystyle T^{ij,-1}_{ij}$	$\textstyle =$	$\displaystyle \frac{1}{4}$

This ansatz is orbital invariant, size consistent and free of GBSSE.

molpro@molpro.net 2010-09-09