39 citations · 283 across the 20 of their papers we have counts for
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Perturbation Theory in the Complex Plane: Exceptional Points and Where to Find Them
Antoine Marie, Hugh G. A. Burton, Pierre-François Loos
We explore the non-Hermitian extension of quantum chemistry in the complex plane and its link with perturbation theory. We observe that the physics of a quantum system is intimatel…
Holomorphic Density Functional Theory
Rhiannon A. Zarotiadis, Hugh G. A. Burton, Alex J. W. Thom
Self-consistent-field (SCF) approximations formulated using Hartree-Fock (HF) or Kohn-Sham Density Functional Theory (KS-DFT) both have the potential to yield multiple solutions. H…
Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach
Hugh G. A. Burton, Alex J. W. Thom
Nonorthogonal multireference methods can predict statically correlated adiabatic energies while providing chemical insight through the combination of diabatic reference states. How…