Challenges for Excited States and Dynamics I

Presentations

• Challenges for excited states and dynamics in the presence of environment

  Invited

  March 8, 2018, 8:00 AM – March 8, 2018, 8:36 AM

  Presenters

  • Leticia Gonzalez

    • Institute of Theoretical Chemistry, University of Vienna

  Authors

  • Leticia Gonzalez

    • Institute of Theoretical Chemistry, University of Vienna

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• Dual-Functional Tamm-Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S₁/S₀ Conical Intersections.

  ORAL

  March 8, 2018, 8:36 AM – March 8, 2018, 8:48 AM

  Presenters

  • Yinan Shu

    • Univ of Minnesota - Twin Cities

  Authors

  • Yinan Shu

    • Univ of Minnesota - Twin Cities

  • Kelsey Parker

    • Univ of Minnesota - Twin Cities

  • Donald Truhlar

    • Chemistry, University of Minnesota
    • Univ of Minnesota - Twin Cities
    • Univ of Minn - Minneapolis

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• Quasi Diabatic Representation for Nonadiabatic Quantum Dynamics Propagations

  ORAL

  March 8, 2018, 8:48 AM – March 8, 2018, 9:00 AM

  Presenters

  • Pengfei Huo

    • Chemistry , University of Rochester

  Authors

  • Pengfei Huo

    • Chemistry , University of Rochester

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• Spin-Forbidden Channels in the Reactions of Unsaturated Hydrocarbons and O(³P)

  ORAL

  March 8, 2018, 9:00 AM – March 8, 2018, 9:12 AM

  Presenters

  • Pavel Pokhilko

    • University of Southern California

  Authors

  • Pavel Pokhilko

    • University of Southern California

  • Anna Krylov

    • Univ of Southern California
    • University of Southern California

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• Optimized Ensemble Time-Dependent Density Functional Theory

  Invited

  March 8, 2018, 9:12 AM – March 8, 2018, 9:48 AM

  Presenters

  • Filipp Furche

    • Chemistry, University of California, Irvine
    • Chemistry Department, University of California
    • University of California Irvine

  Authors

  • Saswata Roy

    • Chemistry, University of California, Irvine

  • Shane Parker

    • Chemistry, University of California, Irvine
    • University of California, Irvine

  • Filipp Furche

    • Chemistry, University of California, Irvine
    • Chemistry Department, University of California
    • University of California Irvine

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• Non-adiabatic molecular dynamics of carbon dioxide at metal surfaces

  ORAL

  March 8, 2018, 9:48 AM – March 8, 2018, 10:00 AM

  Presenters

  • Philip Shushkov

    • Division of Chemistry and Chemical Engineering, California Institute of Technology
    • Caltech

  Authors

  • Philip Shushkov

    • Division of Chemistry and Chemical Engineering, California Institute of Technology
    • Caltech

  • Yunxi Yao

    • Caltech

  • konstantinos giapis

    • Caltech

  • Thomas Miller

    • Caltech
    • Division of Chemistry and Chemical Engineering, California Institute of Technology
    • Chemistry and Chemical Engineering, Caltech
    • California Institute of Technology
    • Division of Chemistry and Chemical Engineering, Caltech
    • Chemistry & Chemical Engineering, Caltech

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• On the exact factorization equations and quantum-classical approximations

  ORAL

  March 8, 2018, 10:00 AM – March 8, 2018, 10:12 AM

  Presenters

  • Graeme Gossel

    • Physics and Astronomy, Hunter College, CUNY

  Authors

  • Graeme Gossel

    • Physics and Astronomy, Hunter College, CUNY

  • Federica Agostini

    • Laboratoire de Chimie Physique d'Orsay, Université Paris-Sud 11

  • Neepa Maitra

    • physics, Hunter College
    • Hunter Coll
    • Physics and Astronomy, Hunter College, CUNY
    • Hunter College CUNY and the Graduate Center CUNY
    • Department of Physics and Astronomy, Hunter College and the City University of New York
    • Department of Physics and Astronomy , Hunter College of the City University of New York

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• Photodissociation dynamics of organic iodides studied via ultrafast photoelectron spectroscopy

  ORAL

  March 8, 2018, 10:12 AM – March 8, 2018, 10:24 AM

  Presenters

  • Brian Stankus

    • Chemistry, Brown University

  Authors

  • Brian Stankus

    • Chemistry, Brown University

  • Nikola Zotev

    • EaStCHEM, School of Chemistry, University of Edinburgh

  • David Rodgers

    • EaStCHEM, School of Chemistry, University of Edinburgh

  • Yan Gao

    • Chemistry, Brown University

  • Adam Kirrander

    • EaStCHEM, School of Chemistry, University of Edinburgh

  • Peter Weber

    • Chemistry, Brown University

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• Non-Adabatic Chemiluminescent Dynamics of the Methyl-Substituted 1,2-Dioxetanes

  Invited

  March 8, 2018, 10:24 AM – March 8, 2018, 11:00 AM

  Presenters

  • Roland Lindh

    • Chemistry - Ångström, Uppsala University

  Authors

  • Morgane Vacher

    • Chemistry - Ångström, Uppsala University

  • Ignazio Galván

    • Chemistry - Ångström, Uppsala University

  • Anders Brakestad

    • Chemistry - Ångström, Uppsala University

  • Hans Karlsson

    • Chemistry - Ångström, Uppsala University

  • Roland Lindh

    • Chemistry - Ångström, Uppsala University

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