148 citations · 729 across the 22 of their papers we have counts for
5 papers · 1 filter
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model
Stijn De Baerdemacker, Amir Ayati, Hugh G. A. Burton +3
We present a mathematical analysis of the spin-constrained Hartree-Fock solutions (CHF) of the 2-site Hubbard model. The analysis sheds light on the spin symmetry breaking process…
Projected seniority-two orbital optimization of the Antisymmetric Product of one-reference orbital Geminal
Katharina Boguslawski, Paweł Tecmer, Peter A. Limacher +5
We present a new, non-variational orbital-optimization scheme for the Antisymmetric Product of one-reference orbital Geminal wave function. Our approach is motivated by the observa…
Efficient description of strongly correlated electrons with mean-field cost
Katharina Boguslawski, Paweł Tecmer, Paul W. Ayers +3
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational…
A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
B. Verstichel, H. van Aggelen, D. Van Neck +2
The quantum many-body problem can be rephrased as a variational determination of the two-body reduced density matrix, subject to a set of N-representability constraints. The mathem…
Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon and silicon
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck +2
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits…