Anti-Hermitian contracted Schrodinger

D. A. Mazziotti, Anti-Hermitian contracted Schrodinger equation direct determination of the two-electron reduced density matrices of many-electron molecules. 97, 143002 (2006). 

Importantly, the anti-Hermitian CSE may be evaluated through second order of a renormalized perturbation theory even when the cumulant 3-RDM is neglected in the reconstruction. The anti-Hermitian part of the CSE [27, 31, 63] is the stationary condition for two-body unitary transformations of the A-particle wave-function [31, 32], and hence the two-body unitary transformations may easily be evaluated with the anti-Hermitian CSE and RDM reconstruction without the many-electron Schrodinger equation. The contracted Schrodinger equation in conjunction with the concepts of reconstruction and purification provides a new, important approach to computing the 2-RDM directly without the many-electron wavefunction. 

ANTI-HERMITIAN FORMULATION OF THE CONTRACTED SCHRODINGER THEORY... 

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