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The Journal of Chemical Physics|May 2, 2009
Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix methodA Eugene DePrince, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|January 27, 2017
Ligand non-innocence and strong correlation in manganese superoxide dismutase mimicsAlexandra R McIsaac, David A MazziottiThe Journal of Chemical Physics|July 5, 2013
Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix methodAndrew M Sand, David A MazziottiThe Journal of Chemical Physics|September 18, 2007
Cumulant reconstruction of the three-electron reduced density matrix in the anti-Hermitian contracted Schrödinger equationA Eugene DePrince, David A MazziottiThe Journal of Chemical Physics|July 23, 2004
Spectral difference Lanczos method for efficient time propagation in quantum control theoryJohn D Farnum, David A MazziottiThe Journal of Chemical Physics|April 20, 2005
Comparison of two genres for linear scaling in density functional theory: purification and density matrix minimization methodsDaniel K Jordan, David A MazziottiThe Journal of Physical Chemistry. A|May 18, 2018
Strong Electron Correlation in Nitrogenase Cofactor, FeMocoJason M Montgomery, David A MazziottiThe Journal of Physical Chemistry. B|April 16, 2009
Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN HNC isomerizationA Eugene DePrince, David A MazziottiThe Journal of Chemical Physics|June 18, 2009
Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theoryChristine A Schwerdtfeger, David A MazziottiThe Journal of Chemical Physics|October 10, 2015
Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systemsAndrew M Sand, David A MazziottiPageof 14