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Physical Review Letters, ISSN 0031-9007, 06/2012, Volume 108, Issue 26, p. 263002
We present a constructive solution to the N-representability problem: a full characterization of the conditions for constraining the two-electron reduced... 
NONCOMMUTATIVE POLYNOMIALS | REDUCTION | PHYSICS, MULTIDISCIPLINARY | ELECTRON CORRELATION | GEOMETRY | Physics - Quantum Physics
Journal Article
Physical Review Letters, ISSN 0031-9007, 10/2016, Volume 117, Issue 15, p. 153001
A central challenge of physics is the computation of strongly correlated quantum systems. The past ten years have witnessed the development and application of... 
SYSTEMS | REPRESENTABILITY | MODEL | PHYSICS, MULTIDISCIPLINARY | PROGRAMMING ALGORITHM | Cadmium | Mathematical analysis | Dimers | Wave functions | Matrix theory | Computational efficiency | Density | Nuclear physics
Journal Article
04/2007, Advances in Chemical Physics Ser., ISBN 9780470106600, Volume 294
Annotation An up-to-date account of this cutting-edge research in a consistent and understandable framework, of special interest to experts in other areas of... 
Web Resource
Physical Review Letters, ISSN 0031-9007, 02/2011, Volume 106, Issue 8, p. 083001
The energy of a many-electron quantum system can be approximated by a constrained optimization of the two-electron reduced density matrix (2-RDM) that is... 
REDUCED DENSITY-MATRICES | REPRESENTABILITY | PHYSICS, MULTIDISCIPLINARY | ALGORITHM
Journal Article
Physical Review Letters, ISSN 0031-9007, 2006, Volume 97, Issue 14, p. 143002
Two-electron reduced density matrices (2-RDMs) of many-electron molecules are directly determined without calculation of their wave functions by solving the... 
SYSTEMS | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, MULTIDISCIPLINARY
Journal Article
Physical Review Letters, ISSN 0031-9007, 11/2004, Volume 93, Issue 21, p. 213001
Determining the energy and properties of an N-electron molecule through a two-electron variational optimization has been a dream for more than half a century.... 
SPACE | REDUCED DENSITY-MATRICES | PERTURBATION-THEORY | VARIATIONAL METHOD | N-2 | PHYSICS, MULTIDISCIPLINARY | POTENTIAL-ENERGY SURFACES | ALGORITHM | CONTRACTED SCHRODINGER-EQUATION | SYSTEMS | ELECTRON CORRELATION
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 12/2007, Volume 111, Issue 49, pp. 12635 - 12640
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 09/2005, Volume 72, Issue 3
Journal Article
Physical Review Letters, ISSN 0031-9007, 12/2008, Volume 101, Issue 25, p. 253002
Parametrization of a molecular two-electron reduced density matrix (2-RDM) enables energies and properties to be directly computed at a highly efficient... 
PHYSICS, MULTIDISCIPLINARY | CONTRACTED SCHRODINGER-EQUATION | REPRESENTABILITY
Journal Article
Physical Review Letters, ISSN 0031-9007, 06/2012, Volume 108, Issue 26
Journal Article
Physical Review A, ISSN 1050-2947, 06/2012, Volume 85, Issue 6
Journal Article
Chemical Reviews, ISSN 0009-2665, 01/2012, Volume 112, Issue 1, p. 244
An investigation into how two-electron reduced density matrix (RDM) and electron correlation in quantum chemistry and physics are calculated is presented,... 
Molecular chemistry | Quantum physics | Electrons
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2011, Volume 134, Issue 17
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 2006, Volume 74, Issue 3
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 03/2006, Volume 39, Issue 3, pp. 207 - 215
For 50 years, progress toward the direct calculation of the ground-state two-electron reduced density matrix (2-RDM) was stymied from an inability to constrain... 
N-ELECTRON SYSTEMS | VARIATIONAL METHOD | REPRESENTABILITY | IRREDUCIBLE BRILLOUIN CONDITIONS | RECONSTRUCTION | CONTRACTED SCHRODINGER-EQUATION | CUMULANT EXPANSION | APPROXIMATE SOLUTION | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY | PROGRAMMING ALGORITHM | Schrodinger equation | Chemical properties | Quantum chemistry | Structure | Analysis | Electrons
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 02/2018, Volume 148, Issue 5, p. 054106
Electron occupations that arise from pure quantum states are restricted by a stringent set of conditions that are said to generalize the Pauli exclusion... 
COMPLEX | ELECTRONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | FULL CONFIGURATION-INTERACTION | QUANTUM-MECHANICS | FERMION DENSITY-MATRICES | N-REPRESENTABILITY | Occupation | Boron | Orbitals | Sparsity | Upper bounds | Energy conservation | Pauli exclusion principle | Configuration interaction | Representations | Isoelectronic sequence | Electrons
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 02/2007, Volume 75, Issue 2
A recent advance in the theory of the contracted Schrodinger equation (CSE), in which only the anti-Hermitian part of the equation is solved, permits the... 
PERTURBATION-THEORY | N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | VARIATIONAL METHOD | IRREDUCIBLE BRILLOUIN CONDITIONS | MANY-BODY PROBLEM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CUMULANT EXPANSION | APPROXIMATE SOLUTION | OPTICS
Journal Article
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