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The Journal of Chemical Physics|July 26, 2013
Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computationsErik P Hoy, Neil Shenvi, David A MazziottiThe Journal of Physical Chemistry Letters|February 3, 2022
Density Functional Theory Transformed into a One-Electron Reduced-Density-Matrix Functional Theory for the Capture of Static CorrelationDaniel Gibney, Jan-Niklas Boyn, David A MazziottiThe Journal of Chemical Physics|July 10, 2010
Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix methodAnton V Sinitskiy, Loren Greenman, David A MazziottiThe Journal of Physical Chemistry Letters|December 28, 2020
Toward a Resolution of the Static Correlation Problem in Density Functional Theory from Semidefinite ProgrammingDaniel Gibney, Jan-Niklas Boyn, David A MazziottiThe Journal of Chemical Physics|July 11, 2006
Modeling the influence of a laser pulse on the potential energy surface in optimal molecular control theoryJohn D Farnum, Gergely Gidofalvi, David A MazziottiThe Journal of Physical Chemistry. A|November 10, 2020
Prediction of the Existence of LiCH: A Carbene-like Organometallic MoleculeJason M Montgomery, Ezra Alexander, David A MazziottiJournal 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 MazziottiPageof 14