Showing results (61-70 of 136) with videos related to
Sort By:
Pageof 14
The 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 MazziottiThe Journal of Chemical Physics|May 2, 2016
Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfacesCharles W Heaps, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|October 19, 2020
Non-equilibrium steady state conductivity in cyclo[18]carbon and its boron nitride analogueAlexandra E Raeber, David A MazziottiPhysical Review Letters|March 5, 2021
Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing DevicesScott E Smart, David A MazziottiThe Journal of Physical Chemistry. A|May 30, 2020
Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong CorrelationKade Head-Marsden, David A MazziottiThe Journal of Physical Chemistry. B|July 21, 2006
Quantum chemical design of hydroxyurea derivatives for the treatment of sickle-cell anemiaBrittany A Rohrman, David A MazziottiThe Journal of Chemical Physics|March 18, 2010
Nonequilibrium, steady-state electron transport with N-representable density matrices from the anti-Hermitian contracted Schrödinger equationAdam E Rothman, David A MazziottiPageof 14