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Journal of Chemical Theory and Computation|October 26, 2022
Comparison of Density-Matrix Corrections to Density Functional TheoryDaniel Gibney, Jan-Niklas Boyn, David A MazziottiPhysical Review Letters|January 5, 2024
Universal Generalization of Density Functional Theory for Static CorrelationDaniel Gibney, Jan-Niklas Boyn, David A MazziottiThe Journal of Chemical Physics|November 17, 2017
Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctionsErik P Hoy, David A Mazziotti, Tamar SeidemanThe Journal of Chemical Physics|May 10, 2011
Testing the parametric two-electron reduced-density-matrix method with improved functionals: application to the conversion of hydrogen peroxide to oxywaterChristine A Schwerdtfeger, A Eugene DePrince, David A MazziottiThe Journal of Chemical Physics|April 23, 2022
Beginnings of exciton condensation in coronene analog of graphene double layerLeeAnn M Sager, Anna O Schouten, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|April 23, 2015
Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicalsAlison L McManus, Erik P Hoy, David A MazziottiThe Journal of Chemical Physics|January 26, 2011
Strongly correlated mechanisms of a photoexcited radical reaction from the anti-Hermitian contracted Schrödinger equationJonathan J Foley, Adam E Rothman, David A MazziottiThe Journal of Chemical Physics|May 20, 2009
Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equationJonathan J Foley, Adam E Rothman, David A MazziottiThe Journal of Physical Chemistry. A|May 14, 2011
Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and sizeKenley Pelzer, Loren Greenman, Gergely Gidofalvi, et al.The Journal of Physical Chemistry Letters|January 30, 2016
Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo ComplexAnthony W Schlimgen, Charles W Heaps, David A MazziottiPageof 14