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NON-BORN-OPPENHEIMER CHEMISTRY: POTENTIAL SURFACES, COUPLINGS, AND DYNAMICS

2004; Linguagem: Inglês

10.1142/9789812565426_0008

1793-0766

Ahren W. Jasper, Brian K. Kendrick, C. Alden Mead, Donald G. Truhlar,

Quantum, superfluid, helium dynamics

Advanced Series in Physical ChemistryModern Trends in Chemical Reaction Dynamics, pp. 329-391 (2004) No AccessNON-BORN-OPPENHEIMER CHEMISTRY: POTENTIAL SURFACES, COUPLINGS, AND DYNAMICSAhren W. Jasper, Brian K. Kendrick, C. Alden Mead, and Donald G. TruhlarAhren W. JasperDepartment of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA, Brian K. KendrickTheoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA, C. Alden Mead92 Bartram Road, Savannah, GA 31411, USA, and Donald G. TruhlarDepartment of Chemistry, University of Minnesota, Minneapolis, MN 55455, USAhttps://doi.org/10.1142/9789812565426_0008Cited by:42 (Source: Crossref) PreviousNext AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail Abstract: The following sections are included: Introduction Born-Oppenheimer Electronic Potential Energy Surfaces and Their Interactions The Born-Oppenheimer Expansion The Born-Oppenheimer Approximation Conical Intersections and Geometric Phases The Generalized Born-Oppenheimer Approximation Non-Abelian Case Dynamics Semiclassical Trajectory Methods Quantum Mechanical Methods Concluding Remarks Acknowledgments References FiguresReferencesRelatedDetailsCited By 42Cited by lists all citing articles based on Crossref citation.New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin StatesYinan Shu, Linyao Zhang, Dihua Wu, Xiye Chen and Shaozeng Sun et al.20 April 2023 | Journal of Chemical Theory and Computation, Vol. 19, No. 9Adiabatic and Diabatic Collision Processes at Low EnergiesEvgeny Nikitin and Alexander Kandratsenka1 Jan 2023Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation DynamicsShanyu Han, Markus Schröder, Fabien Gatti, Hans-Dieter Meyer and David Lauvergnat et al.15 July 2022 | Journal of Chemical Theory and Computation, Vol. 18, No. 8Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH( A2 Σ + ) by H 2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy MatrixShanyu Han, Antonio G. 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Truhlar1 Jan 2004 | The Journal of Chemical Physics, Vol. 121, No. 16 Recommended Modern Trends in Chemical Reaction Dynamics Metrics History PDF download