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The Journal of Physical Chemistry. A|November 21, 2017
Static and Dynamic Electron Correlation in the Ligand Noninnocent Oxidation of Nickel DithiolatesAnthony W Schlimgen, David A MazziottiThe Journal of Chemical Physics|November 3, 2018
Analytical gradients of variational reduced-density-matrix and wavefunction-based methods from an overlap-reweighted semidefinite programAnthony W Schlimgen, David A MazziottiThe Journal of Chemical Physics|July 22, 2019
Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matricesKade Head-Marsden, David A MazziottiThe Journal of Chemical Physics|July 27, 2012
Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix methodChristine A Schwerdtfeger, David A MazziottiThe Journal of Chemical Physics|April 15, 2019
Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrixJan-Niklas Boyn, David A MazziottiThe Journal of Chemical Physics|January 3, 2013
Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculationsChristine A Schwerdtfeger, David A MazziottiThe 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 MazziottiPageof 14