1 citations · 1 across the 2 of their papers we have counts for
3 papers
Spin-Generator Coordinate Method for Electronic Structure
Amir Ayati, Hugh G. A. Burton, Patrick Bultinck +1
We present a new application of the Generator Coordinate Method (GCM) as an electronic structure method for strong electron correlation in molecular systems. We identify spin fluct…
Spin-Symmetry Projected constrained Unrestricted Hartree-Fock
Amir Ayati, Hugh G. A. Burton, Stijn De Baerdemacker
We introduce an electronic structure approach for spin symmetry breaking and restoration from the mean-field level. The spin-projected constrained-unrestricted Hartree-Fock (SPcUHF…
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…