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Fermionic Mean-Field Theory as a Tool for Studying Spin Hamiltonians
Thomas M. Henderson, Brent Harrison, Ilias Magoulas +5
The Jordan--Wigner transformation permits one to convert spin operators into spinless fermion ones, or vice versa. In some cases, it transforms an interacting spin Hamiltonia…
Combining complex conjugation, time-reversal, and spin symmetry projection of coupled cluster wave functions
Ruiheng Song, Thomas M. Henderson, Gustavo E. Scuseria
Complex conjugation symmetry breaking and restoration generate two non-orthogonal configurations at the Hartree-Fock level that can capture static correlation naturally. In conjunc…
Selected non-orthogonal configuration interaction with compressed single and double excitations
Chong Sun, Fei Gao, Gustavo E. Scuseria
Addressing both dynamic and static correlation accurately is a primary goal in electronic structure theory. Non-orthogonal configuration interaction (NOCI) is a versatile tool for…
Linear combinations of cluster mean-field states applied to spin systems
Athanasios Papastathopoulos-Katsaros, Thomas M. Henderson, Gustavo E. Scuseria
We present an innovative cluster-based method employing linear combinations of diverse cluster mean-field (cMF) states, and apply it to describe the ground state of strongly-correl…