Nondeterminantal Hartree-Fock theory
George Rosensteel, DAVID J. ROWE
Abstract
George Rosensteel, DAVID J. ROWE
Abstract
Hartree-Fock (HF) theory is generalized so as to apply to nondeterminantal densities, while retaining the fundamental HF restriction to one-body dynamics. Time development in conventional time-dependent Hartree-Fock and its extension are identical to classical Hamiltonian dynamics.
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Hartree-Fock (HF) theory is generalized so as to apply to nondeterminantal densities, while retaining the fundamental HF restriction to one-body dynamics. Time development in conventional time-dependent Hartree-Fock and its extension are identical to classical Hamiltonian dynamics.
Key concepts: Hartree–Fock method, Hamiltonian (control theory), Physics, Quantum mechanics, Quantum electrodynamics, Classical mechanics, Mathematics, Mathematical optimization