2 papers
physics.chem-ph2025
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…
quant-ph2024
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…