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The Journal of Physical Chemistry. A|November 14, 2007
Determining the energy gap between the cis and trans isomers of HO3- using geometry optimization within the anti-Hermitian contracted Schrödinger and coupled cluster methodsDavid A MazziottiThe Journal of Chemical Physics|January 19, 2007
Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditionsGergely Gidofalvi, David A MazziottiThe Journal of Chemical Physics|July 21, 2004
Perturbation theory corrections to the two-particle reduced density matrix variational methodTamas Juhasz, David A MazziottiThe Journal of Chemical Physics|March 26, 2008
Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrixLoren Greenman, David A MazziottiPhysical Review Letters|June 15, 2024
Fewer Measurements from Shadow Tomography with N-Representability ConditionsIrma Avdic, David A MazziottiThe Journal of Chemical Physics|April 5, 2014
Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systemsSrikant Veeraraghavan, David A MazziottiThe Journal of Chemical Physics|November 15, 2006
The cumulant two-particle reduced density matrix as a measure of electron correlation and entanglementTamás Juhász, David A MazziottiThe Journal of Chemical Physics|October 18, 2006
Computation of dipole, quadrupole, and octupole surfaces from the variational two-electron reduced density matrix methodGergely Gidofalvi, David A MazziottiThe Journal of Chemical Physics|July 9, 2021
Correlation-driven phenomena in periodic molecular systems from variational two-electron reduced density matrix theorySimon Ewing, David A MazziottiThe Journal of Physical Chemistry. A|January 9, 2010
Energy barriers of vinylidene carbene reactions from the anti-hermitian contracted Schrödinger equationLoren Greenman, David A MazziottiPageof 14