LAUSR

Flexible ansatz for N-body configuration interaction

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0 Published in 2021 at "Computational and Theoretical Chemistry"

DOI: 10.1016/j.comptc.2021.113187

Abstract: Abstract We present a Flexible Ansatz for N-body Configuration Interaction (FANCI) that includes any multideterminant wavefunction. This ansatz is a generalization of the Configuration Interaction (CI) wavefunction, where the coefficients are replaced by a specified… read more here.

Keywords: configuration interaction; wavefunction; flexible ansatz;