Advances in the Theory of Quantum Systems in Chemistry and Physics

ISBN: 978-94-007-2075-6 (Print) 978-94-007-2076-3 (Online)

Table of contents (32 chapters)

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  1. Front Matter

    Pages i-xxii

  2. Fundamental Theory

    1. Front Matter

      Pages 1-1

    2. No Access

      Book Chapter

      Pages 3-34

      Time Asymmetry and the Evolution of Physical Laws

  3. Model Atoms

    1. Front Matter

      Pages 35-35

    2. No Access

      Book Chapter

      Pages 37-50

      Spatially-Dependent-Mass Schrödinger Equations with Morse Oscillator Eigenvalues: Isospectral Potentials and Factorization Operators

    3. No Access

      Book Chapter

      Pages 51-68

      Relativistic Theory of Cooperative Muon – γ-Nuclear Processes: Negative Muon Capture and Metastable Nucleus Discharge

  4. Atoms and Molecules with Exponential-Type Orbitals

    1. Front Matter

      Pages 69-69

    2. No Access

      Book Chapter

      Pages 71-81

      Two-Range Addition Theorem for Coulomb Sturmians

    3. No Access

      Book Chapter

      Pages 83-102

      Why Specific ETOs are Advantageous for NMR and Molecular Interactions

    4. No Access

      Book Chapter

      Pages 103-117

      Progress in Hylleraas-CI Calculations on Boron

    5. No Access

      Book Chapter

      Pages 119-127

      Structural and Electronic Properties of Po under Hydrostatic Pressure

    6. No Access

      Book Chapter

      Pages 129-136

      Complexity Analysis of the Hydrogenic Spectrum in Strong Fields

  5. Density-Oriented Methods

    1. Front Matter

      Pages 137-137

    2. No Access

      Book Chapter

      Pages 139-171

      Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry

    3. No Access

      Book Chapter

      Pages 173-184

      Understanding Maximum Probability Domains with Simple Models

    4. No Access

      Book Chapter

      Pages 185-197

      Density Scaling for Excited States

    5. No Access

      Book Chapter

      Pages 199-217

      Finite Element Method in Density Functional Theory Electronic Structure Calculations

    6. No Access

      Book Chapter

      Pages 219-248

      Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent Density Functional Theory Calculations with the Equation-of-Motion Coupled-Cluster Results

    7. No Access

      Book Chapter

      Pages 249-266

      Multiparticle Distribution of Fermi Gas System in Any Dimension

  6. Dynamics and Quantum Monte-Carlo Methodology

    1. Front Matter

      Pages 267-267

    2. No Access

      Book Chapter

      Pages 269-283

      Hierarchical Effective-Mode Approach for Extended Molecular Systems

    3. No Access

      Book Chapter

      Pages 285-297

      Short-Time Dynamics Through Conical Intersections in Macrosystems: Quadratic Coupling Extension

    4. No Access

      Book Chapter

      Pages 299-325

      Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields

    5. No Access

      Book Chapter

      Pages 327-342

      A Survey on Reptation Quantum Monte Carlo

    6. No Access

      Book Chapter

      Pages 343-351

      Quantum Monte Carlo Calculations of Electronic Excitation Energies: The Case of the Singlet n→π (CO) Transition in Acrolein

  7. Structure and Reactivity

    1. Front Matter

      Pages 353-353

    2. No Access

      Book Chapter

      Pages 355-367

      Analysis of the Charge Transfer Mechanism in Ion-Molecule Collisions

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