1.3k citations · 2.9k across the 14 of their papers we have counts for
Showing 2014 · physics.chem-phShow all
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physics.chem-ph2014★ 13 cited
Qualitative breakdown of the unrestricted Hartree-Fock energy
Paula Mori-Sánchez, Aron J. Cohen
The stretching of closed-shell molecules is a qualitative problem for restricted Hartree-Fock that is usually circumvented by the use of unrestricted Hartree-Fock (UHF). UHF is wel…
physics.chem-ph2014★ 127 cited
The derivative discontinuity of the exchange-correlation functional
Paula Mori-Sánchez, Aron J. Cohen
The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhib…