Lower bounds for ground states of condensed matter systems
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February 2012 |
Active-space two-electron reduced-density-matrix method: Complete active-space calculations without diagonalization of the N-electron Hamiltonian
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October 2008 |
Entangled Electrons Drive a Non-superexchange Mechanism in a Cobalt Quinoid Dimer Complex
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May 2020 |
Potential coexistence of exciton and fermion-pair condensations
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February 2020 |
Structure of Fermionic Density Matrices: Complete -Representability Conditions
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June 2012 |
Variational reduced density matrix method in the doubly-occupied configuration interaction space using four-particle N -representability conditions: Application to the XXZ model of quantum magnetism
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October 2019 |
Strong Electron Correlation in Nitrogenase Cofactor, FeMoco
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May 2018 |
Fast semistochastic heat-bath configuration interaction
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December 2018 |
Quantum signature of exciton condensation
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July 2018 |
Variational two-electron reduced density matrix theory for many-electron atoms and molecules: Implementation of the spin- and symmetry-adapted condition through first-order semidefinite programming
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September 2005 |
Large-Scale Semidefinite Programming for Many-Electron Quantum Mechanics
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February 2011 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
Reduction of the N ‐Particle Variational Problem
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December 1964 |
Structure of Fermion Density Matrices
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July 1963 |
Analytical gradients of variational reduced-density-matrix and wavefunction-based methods from an overlap-reweighted semidefinite program
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October 2018 |
Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm
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May 2001 |
Pinning of Fermionic Occupation Numbers
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January 2013 |
The Spectroscopy of Nitrogenases
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April 2020 |
Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms
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November 1994 |
Coupled-cluster theory in quantum chemistry
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February 2007 |
Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N -representability conditions
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January 2018 |
Global Method for Electron Correlation
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August 2017 |
Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo Complex
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January 2016 |
Variational reduced-density-matrix method using three-particle -representability conditions with application to many-electron molecules
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September 2006 |
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
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October 1955 |
Quantum entanglement
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June 2009 |
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
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January 2020 |
The lower bound method for reduced density matrices
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August 2000 |
Coordinate Descent Full Configuration Interaction
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April 2019 |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
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May 1980 |
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
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January 2009 |
Natural population analysis
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July 1985 |
The electronic ground-state energy problem: A new reduced density matrix approach
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August 2006 |
Ligand non-innocence and strong correlation in manganese superoxide dismutase mimics
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January 2017 |
Entanglement and electron correlation in quantum chemistry calculations
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November 2006 |
Challenges for Density Functional Theory
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December 2011 |
Forces in Molecules
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August 1939 |
Variational Two-Particle Density Matrix Calculation for the Hubbard Model Below Half Filling Using Spin-Adapted Lifting Conditions
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May 2012 |
n ‐Representability Problem for Reduced Density Matrices
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October 1967 |
The density-matrix renormalization group
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April 2005 |
Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function
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August 2015 |
Active-Space -Representability Constraints for Variational Two-Particle Reduced Density Matrix Calculations
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November 2010 |
Reduced Density Matrix Functional Theory for Bosons
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May 2020 |
Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First‐Row Atoms
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October 1970 |
Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method
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July 2010 |
The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions
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February 2004 |
Realization of Quantum Chemistry without Wave Functions through First-Order Semidefinite Programming
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November 2004 |
Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon
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September 2009 |
Global solutions of Hartree-Fock theory and their consequences for strongly correlated quantum systems
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January 2014 |
Evidence for Interstitial Carbon in Nitrogenase FeMo Cofactor
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November 2011 |
Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods
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April 2016 |
Variational minimization of atomic and molecular ground-state energies via the two-particle reduced density matrix
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June 2002 |
Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory
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October 2016 |
X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor
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November 2011 |
Representability
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June 1978 |
Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong Correlation
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May 2020 |