Focus Session: Non-Adiabatic Dynamics: New Insights from Experiment and Theory IV

Presentations

• Multi-reference vs. single-reference quantum chemical methods in surface hopping dynamics

  COFFEE_KLATCH · Invited

  March 4, 2015, 2:30 PM – March 4, 2015, 3:06 PM

  Authors

  • Hans Lischka

    • Texas Tech University

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• Unravelling Two State Reactivity: New Insights Combining Experimental, \textit{Ab Initio}, and Statistical Modelling Techniques

  ORAL

  March 4, 2015, 3:06 PM – March 4, 2015, 3:18 PM

  Authors

  • Shaun Ard

    • AFRL

  • Joshua Melko

    • University of North Florida

  • Oscar Martinez

    • AFRL

  • Vladimir Ushakov

    • Max Plank Institue

  • Anyang Li

    • University of New Mexico

  • Ryan Johnson

    • University of New Mexico

  • Nicholas Shuman

    • AFRL

  • Hua Guo

    • University of New Mexico

  • Jurgen Troe

    • Max Plank Institue

  • Albert Viggiano

    • AFRL

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• New insights into the nonadiabatic dynamics of proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach

  ORAL

  March 4, 2015, 3:18 PM – March 4, 2015, 3:30 PM

  Authors

  • Gabriel Hanna

    • University of Alberta

  • Farnaz Shakib

    • University of Alberta

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• Variational state specific solvent models for excited states from time dependent self-consistent field methods

  ORAL

  March 4, 2015, 3:30 PM – March 4, 2015, 3:42 PM

  Authors

  • Josiah Bjorgaard

    • Los Alamos National Laboratory

  • Kirill Velizhanin

    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos National Laboratory
    • Theoretical Division, Las Alamos National Lab, Los Alamos NM

  • Sergei Tretiak

    • Los Alamos National Laboratory
    • Los Alamos National Lab

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• Electronic Structure and Potential Fitting Methods Suitable For Multistate Reactive Surfaces

  COFFEE_KLATCH · Invited

  March 4, 2015, 3:42 PM – March 4, 2015, 4:18 PM

  Authors

  • Richard Dawes

    • Missouri University of Science and Technology

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• Phase-space formulation of Nonadiabatic Quantum Processes

  ORAL

  March 4, 2015, 4:18 PM – March 4, 2015, 4:30 PM

  Authors

  • Andres Estrada-Guerra

    • Univ de Antioquia

  • Leonardo A. Pachon

    • Univ de Antioquia
    • Instituto de Fisica, Universidad de Antioquia. Department of Chemistry and Chemical Biology, Harvard University.
    • Grupo de Fisica Atomica y Molecular, Instituto de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA. Medellin, Colombia
    • Instate de Fisica, Universidad de Antioquia. Department of Chemistry and Chemical Biology, Harvard University.

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• Coherent Dynamics Following Strong Field Ionization of Polyatomic Molecules

  ORAL

  March 4, 2015, 4:30 PM – March 4, 2015, 4:42 PM

  Authors

  • Arkaprabha Konar

    • Michigan State University

  • Yinan Shu

    • Michigan State University

  • Vadim Lozovoy

    • Michigan State University

  • James Jackson

    • Michigan State University

  • Benjamin Levine

    • Michigan State University

  • Marcos Dantus

    • Michigan State University

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