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The Journal of Physical Chemistry. A|February 12, 2008
A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integralsAnthony D Dutoi, Martin Head-GordonThe Journal of Chemical Physics|January 9, 2025
Series expansion of a scalable Hermitian excitonic renormalization methodMarco Bauer, Andreas Dreuw, Anthony D DutoiJournal of Chemical Theory and Computation|February 18, 2026
A General Predictive and Conceptual Model for Repulsive Electronic States in Valence Ionized MoleculesLuka Dockx, Bálint Sztáray, Anthony D DutoiThe Journal of Chemical Physics|January 19, 2011
Ultrafast charge separation driven by differential particle and hole mobilitiesAnthony D Dutoi, Michael Wormit, Lorenz S CederbaumThe Journal of Physical Chemistry. A|July 15, 2025
Quantitative Modeling of Excited-State Dynamics in Valence Photoionized Vinyl FluorideLuka Dockx, Bálint Sztáray, Anthony D DutoiThe Journal of Chemical Physics|December 18, 2025
Optimization of fragment state spaces within the excitonic renormalization frameworkMarco Bauer, Patrick Norman, Andreas Dreuw, et al.The Journal of Chemical Physics|January 6, 2006
Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinatesJoseph E Subotnik, Anthony D Dutoi, Martin Head-GordonThe Journal of Chemical Physics|November 20, 2004
Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure methodYousung Jung, Rohini C Lochan, Anthony D Dutoi, et al.Science (New York, N.Y.)|September 10, 2005
Simulated quantum computation of molecular energiesAlán Aspuru-Guzik, Anthony D Dutoi, Peter J Love, et al.The Journal of Chemical Physics|April 22, 2010
Tracing molecular electronic excitation dynamics in real time and spaceAnthony D Dutoi, Lorenz S Cederbaum, Michael Wormit, et al.Pageof 2