共 50 条
- [1] Density functional theory and two-electron reduced-density matrix methodsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256DePrince, A.
- [2] Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix MethodsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (01) : 290 - 302Mostafanejad, MohammadDePrince, A. Eugene, III
- [3] Analytic Energy Gradients for Variational Two-Electron Reduced-Density Matrix Methods within the Density Fitting ApproximationJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (01) : 276 - 289Mullinax, J. WayneEpifanovsky, EvgenyGidofalvi, GergelyDePrince, A. Eugene, III
- [4] Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrixPHYSICAL REVIEW A, 2019, 100 (03)Li, Run R.DePrince, A. Eugene, III
- [5] NW Dynamical correlation models for variational two-electron reduced-density-matrix driven complete active space self-consistent field methodsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255DePrince, A.
- [6] VARIATIONAL TWO-ELECTRON REDUCED-DENSITY-MATRIX THEORYREDUCED-DENSITY-MATRIX MECHANICS - WITH APPLICATION TO MANY-ELECTRON ATOMS AND MOLECULES, 2007, 134 : 21 - 59Mazziotti, David A.
- [7] Variational optimization of the two-electron reduced-density matrix under pure-state N-representability conditionsJOURNAL OF CHEMICAL PHYSICS, 2016, 145 (16):DePrince, A. Eugene, III
- [9] Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix methodJOURNAL OF CHEMICAL PHYSICS, 2010, 133 (01):Sinitskiy, Anton V.Greenman, LorenMazziotti, David A.
- [10] Pair density functional theory description of dynamical electron correlation in variational two-electron reduced-density-matrix-driven complete active space self-consistent field methodsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256Mostafanejad, MohammadDePrince, A.