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Physical Review Letters|March 5, 2021
Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing DevicesScott E Smart, 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 Physical Chemistry. A|July 13, 2023
Qubit Condensation for Assessing Efficacy of Molecular Simulation on Quantum ComputersLeeAnn M Sager-Smith, Scott E Smart, David A MazziottiThe Journal of Chemical Physics|July 16, 2018
Using reduced density matrix techniques to capture static and dynamic correlation in the energy landscape for the decomposition of the CH2CH2ONO radical and support a non-IRC pathwayScott E Smart, Preston G Scrape, Laurie J Butler, et al.The Journal of Chemical Physics|January 1, 2022
Quantum-classical hybrid algorithm for the simulation of all-electron correlationJan-Niklas Boyn, Aleksandr O Lykhin, Scott E Smart, et al.Physical Review Letters|March 17, 2011
Large-scale semidefinite programming for many-electron quantum mechanicsDavid A MazziottiPhysical Review Letters|December 17, 2004
Realization of quantum chemistry without wave functions through first-order semidefinite programmingDavid A MazziottiPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 3, 2004
Towards idempotent reduced density matrices via particle-hole duality: McWeeny's purification and beyondDavid A MazziottiThe Journal of Chemical Physics|January 7, 2005
First-order semidefinite programming for the direct determination of two-electron reduced density matrices with application to many-electron atoms and moleculesDavid A MazziottiPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 28, 2002
Purification of correlated reduced density matricesDavid A MazziottiPageof 14