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| Preface | |
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| Introduction | |
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| One-Dimensional Theory | |
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| Exactly Solvable Cases | |
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| Case of Delta-Function Barrier | |
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| Case of Parabolic Potential Barrier | |
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| Case of Eckart Potential Barrier | |
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| WKB Approximation and Connection Formula | |
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| Comparison Equation Method | |
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| Diagrammatic Technique | |
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| Instanton Theory and Modified WKB Method | |
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| Instanton Theory | |
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| Modified WKB Method | |
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| Energy Levels in a Double Well Potential | |
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| Asymmetric Double Well Potential | |
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| Symmetric Double Well Potential | |
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| Decay of Metastable State | |
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| Two-Dimensional Theory | |
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| WKB Theory | |
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| Instanton Theory | |
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| Multidimensional Effects: Peculiar Phenomena | |
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| Effects of Vibrational Excitation on Tunneling Splitting | |
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| Adiabatic and Sudden Approximations | |
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| Case of Symmetric Mode Coupling Potential | |
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| Case of Antisymmetric Mode Coupling Potential | |
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| Case of Squeezed (Sqz) Double Well Potential | |
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| Insufficiency of Two-Dimensional Model | |
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| Proton Tunneling in Tropolone | |
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| Available Experimental Data | |
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| Tunneling Dynamics in the Ground X State | |
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| Analysis of Tunneling Dynamics of the Excited A State | |
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| Nonadiabatic Tunneling | |
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| Definition and Qualitative Explanation | |
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| One-Dimensional Theory | |
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| Case of E ≤ E<sub>t</sub> | |
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| Case of E<sub>t</sub>, ≤ E ≤ E<sub>b</sub> | |
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| Case of E<sub>b</sub> ≤ E | |
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| Multidimensional Theory of Tunneling Splitting | |
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| General Formulation | |
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| Multidimensional Extension of the Instanton Theory | |
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| WKB Approach in Cartesian Coordinates | |
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| WKB Approach in the Case of General Hamiltonian in Curved Space | |
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| How to Find Instanton Trajectory | |
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| How to Use the Theory | |
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| Evaluation of the Pre-Exponential Factor | |
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| Incorporation of High Level of ab initio Quantum Chemical Calculations | |
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| Case of Low Vibrationally Excited States | |
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| One- and Two-Dimensional Cases | |
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| Multidimensional Case in Terms of Cartesian Coordinates | |
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| Case of General Multidimensional Curved Space | |
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| Numerical Applications to Polyatomic Molecules | |
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| N-Dimensional Separable Potential Model | |
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| Hydroperoxy Radical HO<sub>2</sub> | |
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| Vinyl Radical C<sub>2</sub>H<sub>3</sub> | |
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| Malonaldehyde C<sub>3</sub>O<sub>2</sub>H<sub>4</sub> | |
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| Formic Acid Dimer (DCOOH)<sub>2</sub> | |
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| Decay of Metastable States | |
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| General Formulation | |
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| Determination of Instanton Trajectory | |
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| Formulation in Terms of Cartesian Coordinates | |
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| General Canonically Invariant Formulation | |
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| Numerical Application | |
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| Tunneling in Chemical Reactions | |
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| Determination of Caustics and Propagation in Tunneling Region | |
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| Caustics in Chaotic Henon-Heiles System | |
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| Caustics in Chemical Reaction Dynamics | |
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| Direct Evaluation of Reaction Rate Constant | |
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| Adiabatic Chemical Reaction | |
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| Nonadiabatic Chemical Reaction | |
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| Concluding Remarks and Future Perspectives | |
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| Proofs of Equation (2.95) and Equation (2.110) | |
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| Derivation of Equation (6.80) | |
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| Herring Formula in Curved Space | |
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| Derivation of Equation (6.97) | |
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| Computer Code to Calculate Instanton Trajectory | |
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| Derivation of Some Equations in Section 6.4.2 | |
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| Bibliography | |
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| Index | |