Influence of broken-pair excitations on the exact pair wavefunction

Wahlen-Strothman, JM; Henderson, TM; Scuseria, GE

Wahlen-Strothman, JM (reprint author), Rice Univ, Dept Phys Astron, Houston, TX 77005 USA.

MOLECULAR PHYSICS, 2018; 116 (2): 186

Abstract

Doubly occupied configuration interaction (DOCI), the exact diagonalisation of the Hamiltonian in the paired (seniority zero) sector of the Hilbert sp......

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