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The 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 MazziottiThe Journal of Chemical Physics|May 21, 2022
Elucidating the molecular orbital dependence of the total electronic energy in multireference problemsJan-Niklas Boyn, David A MazziottiJournal of Chemical Theory and Computation|September 1, 2022
Accelerated Convergence of Contracted Quantum Eigensolvers through a Quasi-Second-Order, Locally Parameterized OptimizationScott E Smart, David A MazziottiThe Journal of Chemical Physics|February 10, 2015
Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matricesKade Head-Marsden, David A MazziottiThe Journal of Chemical Physics|July 20, 2011
Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equationJames W Snyder, David A MazziottiPageof 14