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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
Journal of Chemical Physics, ISSN 0021-9606, 06/2011, Volume 134, Issue 21, pp. 214116 - 214116-19
A state-specific partially internally contracted multireference coupled cluster approach is presented for general complete active spaces with arbitrary number... 
SINGLE-REFERENCE FORMALISM | CONFIGURATION-INTERACTION CALCULATIONS | REDUCED DENSITY-MATRICES | N-ELECTRON SYSTEMS | QUANTUM-CHEMISTRY | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SYMMETRY-ADAPTED-CLUSTER | POTENTIAL-ENERGY CURVES | SIZE-EXTENSIVE MODIFICATION | EXCITED-STATES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2010, Volume 132, Issue 23, pp. 234107 - 234107-8
The multireference normal order theory, introduced by Kutzelnigg and Mukherjee [ J. Chem. Phys. 107 , 432 ( 1997 )] , is defined explicitly, and an algebraic... 
REDUCED DENSITY-MATRICES | N-ELECTRON SYSTEMS | IRREDUCIBLE BRILLOUIN CONDITIONS | RECONSTRUCTION | TERMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LOWER-ORDER | CUMULANT EXPANSION | STATE | higher order statistics | CONTRACTED SCHRODINGER-EQUATIONS | FORMULATION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2012, Volume 137, Issue 20, p. 204107
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2019, Volume 15, Issue 1, pp. 290 - 302
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 08/2014, Volume 141, Issue 7
A new approach to density cumulant functional theory is developed that derives density cumulant N-representability conditions from an approximate Fock space... 
BODY PERTURBATION-THEORY | WAVE-FUNCTIONS | QUANTUM-CHEMISTRY | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ELECTRON CORRELATION THEORIES | CONTRACTED SCHRODINGER-EQUATIONS | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY | SYMMETRY-BREAKING | MOLECULAR-PROPERTIES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2011, Volume 134, Issue 21, pp. 214109 - 214109-9
We propose a novel interpretation of the reduced density matrix (RDM) and its cumulant that combines linear and exponential parametrizations of the... 
PERTURBATION-THEORY | ORDER | IRREDUCIBLE BRILLOUIN CONDITIONS | EXTENSIVITY | EXPANSION | TERMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY, PHYSICAL | SYSTEMS | CONTRACTED SCHRODINGER-EQUATIONS | FORMULATION
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
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 01/2013, Volume 1003, pp. 62 - 70
► We show the notion of generalized antisymmetrized product, generalized normal ordering (GNO) and cumulants. ► We show that all cumulants with rank greater... 
Cumulants | Generalized normal ordering | Internally Contracted MRCC | IRREDUCIBLE BRILLOUIN CONDITIONS | THEOREM | TERMS | CHEMISTRY, PHYSICAL | REDUCED DENSITY-MATRICES | REPRESENTABILITY | SYSTEMS | CONTRACTED SCHRODINGER-EQUATIONS | ENERGIES | IONIZATION | COUPLED-CLUSTER THEORY
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
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 08/2009, Volume 80, Issue 2
Direct calculation of the ground-state two-electron reduced density matrix (2-RDM) and its energy has recently been achieved for many-electron atoms and... 
WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CONFIGURATION-INTERACTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CUMULANT EXPANSION | SYSTEMS | APPROXIMATE SOLUTION | BASIS-SETS | OPTICS | GEOMETRY
Journal Article
Chemical Physics, ISSN 0301-0104, 06/2012, Volume 401, pp. 50 - 61
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2014, Volume 10, Issue 6, pp. 2389 - 2398
We present an extensive benchmark study of density cumulant functional theory (DCFT) for thermochemistry and kinetics of closed- and open-shell molecules. The... 
IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | PLESSET PERTURBATION-THEORY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FERMION SYSTEMS | CHEMISTRY, PHYSICAL | 2 LOWEST STATES | CONTRACTED SCHRODINGER-EQUATIONS | ELECTRON-PAIR APPROXIMATION | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY | NATURAL ORBITALS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 01/2013, Volume 138, Issue 2, p. 024107
Density cumulant functional theory (DCFT) is a theory that, in principle, can compute energies and properties exactly without a wavefunction. To accomplish... 
N-ELECTRON SYSTEMS | WAVE-FUNCTIONS | IRREDUCIBLE BRILLOUIN CONDITIONS | CORRELATED MOLECULAR CALCULATIONS | CANONICAL TRANSFORMATION THEORY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | CHEMISTRY | CONTRACTED SCHRODINGER-EQUATION | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2007, Volume 126, Issue 18, pp. 184101 - 184101-9
Two-electron reduced density matrices (2-RDMs) have recently been directly determined from the solution of the anti-Hermitian contracted Schrödinger equation... 
WAVE-FUNCTIONS | VARIATIONAL METHOD | REPRESENTABILITY | IRREDUCIBLE BRILLOUIN CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DETERMINING QUANTUM ENERGIES | LOWER-ORDER | CUMULANT EXPANSION | APPROXIMATE SOLUTION | ELECTRONIC-STRUCTURE CALCULATIONS | SURFACES | Quantum Theory | Algorithms | Energy Transfer | Models, Chemical | Computer Simulation | Electrons
Journal Article