Quantum Systems in Chemistry and Physics

Progress in Methods and Applications

ISBN: 978-94-007-5296-2 (Print) 978-94-007-5297-9 (Online)

Table of contents (33 chapters)

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  1. Front Matter

    Pages i-xxi

  2. PART1

    1. Front Matter

      Pages 1-1

    2. Chapter

      Pages 3-22

      The Relativistic Kepler Problem and Gödel’s Paradox

    3. Chapter

      Pages 23-46

      The Dirac Electron: Spin, Zitterbewegung, the Compton Wavelength, and the Kinetic Foundation of Rest Mass

    4. Chapter

      Pages 47-76

      Molecular Parity Violation and Chirality: The Asymmetry of Life and the Symmetry Violations in Physics

  3. PART2

    1. Front Matter

      Pages 77-77

    2. Chapter

      Pages 79-108

      Application of Density Matrix Methods to Ultrafast Processes

    3. Chapter

      Pages 109-120

      Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models

    4. Chapter

      Pages 121-148

      Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules

    5. Chapter

      Pages 149-177

      Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation

    6. Chapter

      Pages 179-191

      Systematics and Prediction in Franck-Condon Factors

    7. Chapter

      Pages 193-205

      Electron Momentum Distribution and Atomic Collisions

    8. Chapter

      Pages 207-216

      Ab Initio Path Integral Molecular Dynamics Simulations of F 2 H and F 2 H 3 +

    9. Chapter

      Pages 217-229

      Relativistic Energy Approach to Cooperative Electron-γ-Nuclear Processes: NEET Effect

    10. Chapter

      Pages 231-252

      Advanced Relativistic Energy Approach to Radiative Decay Processes in Multielectron Atoms and Multicharged Ions

  4. PART3

    1. Front Matter

      Pages 253-253

    2. Chapter

      Pages 255-274

      Solving the Schrödinger Equation for the Hydrogen Molecular Ion in a Magnetic Field Using the Free-Complement Method

    3. Chapter

      Pages 275-308

      Description of Core-Ionized and Core-Excited States by Density Functional Theory and Time-Dependent Density Functional Theory

    4. Chapter

      Pages 309-320

      Intermolecular Potentials of the Carbon Tetrachloride and Trifluoromethane Dimers Calculated with Density Functional Theory

    5. Chapter

      Pages 321-330

      Ab initio Study of the Potential Energy Surface and Stability of the Li2 +(X2Σg +) Alkali Dimer in Interaction with a Xenon Atom

    6. Chapter

      Pages 331-344

      Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters

    7. Chapter

      Pages 345-359

      Approximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond Systems

  5. PART4

    1. Front Matter

      Pages 361-361

    2. Chapter

      Pages 363-375

      DFT Calculations of the Heterojunction Effect for Precious Metal Cluster Catalysts

    3. Chapter

      Pages 377-392

      Luminescence Wavelengths and Energy Level Structure of Dinuclear Copper Complexes and Related Metal Complexes

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