activity
20102026
most citedStructure of Fermionic Density Matrices: Complete N-representability Conditions

224 citations · 1.9k across the 92 of their papers we have counts for

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Showing 2022Show all

15 papers · 1 filter

quant-ph2022★ 9 cited

Entangled phase of simultaneous fermion and exciton condensations realized

LeeAnn M. Sager, David A. Mazziotti

Fermion-exciton condensates (FECs) -- computationally and theoretically predicted states that simultaneously exhibit the character of superconducting states and exciton condensates…

cond-mat.mes-hall2022★ 12 cited

Beginnings of Exciton Condensation in Coronene Analog of Graphene Double Layer

LeeAnn M. Sager, Anna O. Schouten, David A. Mazziotti

Exciton condensation, a Bose-Einstein condensation of excitons into a single quantum state, has recently been achieved in low-dimensional materials including twin layers of graphen…

physics.chem-ph2022★ 15 cited

Reducing the Quantum Many-electron Problem to Two Electrons with Machine Learning

LeeAnn M. Sager-Smith, David A. Mazziotti

An outstanding challenge in chemical computation is the many-electron problem where computational methodologies scale prohibitively with system size. The energy of any molecule can…

quant-ph2022★ 7 cited

Simultaneous fermion and exciton condensations from a model Hamiltonian

LeeAnn M. Sager, David A. Mazziotti

Fermion-exciton condensation in which both fermion-pair (i.e., superconductivity) and exciton condensations occur simultaneously in a single coherent quantum state has recently bee…

physics.chem-ph2022★ 6 cited

Elucidating the molecular orbital dependence of the total electronic energy in multireference problems

Jan-Niklas Boyn, David A. Mazziotti

The accurate resolution of the chemical properties of strongly correlated systems, such as biradicals, requires the use of electronic structure theories that account for both multi…

cond-mat.mtrl-sci2022★ 16 cited

Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate Complexes

Jan-Niklas Boyn, Lauren E. McNamara, John S. Anderson +1

The synthesis and design of organic biradicals with tunable singlet-triplet gaps has become the subject of significant research interest, owing to their possible photochemical appl…