Quantum Systems in Chemistry and Physics

Chapter 1 The Relativistic Kepler Problem and Gödel’s Paradox

Chapter 2 The Dirac Electron: Spin, Zitterbewegung , the Compton Wavelength, and the Kinetic Foundation of Rest Mass

Chapter 3 Molecular Parity Violation and Chirality: The Asymmetry of Life and the Symmetry Violations in Physics

Chapter 4 Application of Density Matrix Methods to Ultrafast Processes

Chapter 5 Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models

Chapter 6 Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules

Chapter 7 Simulation of Nuclear Dynamics of C 60 : From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation

Chapter 8 Systematics and Prediction in Franck-Condon Factors

Chapter 9 Electron Momentum Distribution and Atomic Collisions

Chapter 10 Ab Initio Path Integral Molecular Dynamics Simulations of F 2 H − and F 2 H 3 +

Chapter 11 Relativistic Energy Approach to Cooperative Electron-γ-Nuclear Processes: NEET Effect

Chapter 12 Advanced Relativistic Energy Approach to Radiative Decay Processes in Multielectron Atoms and Multicharged Ions

Chapter 13 Solving the Schrödinger Equation for the Hydrogen Molecular Ion in a Magnetic Field Using the Free-Complement Method

Chapter 14 Description of Core-Ionized and Core-Excited States by Density Functional Theory and Time-Dependent Density Functional Theory

Chapter 15 Intermolecular Potentials of the Carbon Tetrachloride and Trifluoromethane Dimers Calculated with Density Functional Theory

Chapter 16 Ab initio Study of the Potential Energy Surface and Stability of the Li 2 + (X 2 Σ g + ) Alkali Dimer in Interaction with a Xenon Atom

Chapter 17 Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters

Chapter 18 Approximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond Systems

Chapter 19 DFT Calculations of the Heterojunction Effect for Precious Metal Cluster Catalysts

Chapter 20 Luminescence Wavelengths and Energy Level Structure of Dinuclear Copper Complexes and Related Metal Complexes

Chapter 21 Valence XPS, IR, and Solution 13 C NMR Spectral Analysis of Representative Polymers by Quantum Chemical Calculations

Chapter 22 Quantum Decoherence at the Femtosecond Level in Liquids and Solids Observed by Neutron Compton Scattering

Chapter 23 Variational Path Integral Molecular Dynamics Study of Small Para-Hydrogen Clusters

Chapter 24 Origin of Antiferromagnetism in Molecular and Periodic Systems in the Original Kohn–Sham Local Density Approximation

Chapter 25 Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory

Chapter 26 Density Functional Study of Manganese Complexes: Protonation Effects on Geometry and Magnetism

Chapter 27 Depth Profile Assignments of nm and μm Orders by Quantum Chemical Calculations for Chitosan Films Modified by Kr + Beam Bombardment

Chapter 28 Color Tuning in Human Cone Visual Pigments: The Role of the Protein Environment

Chapter 29 Free Energy of Cell-Penetrating Peptide through Lipid Bilayer Membrane: Coarse-Grained Model Simulation

Chapter 30 Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the Cu A Site in Cytochrome c Oxidase

Chapter 31 The Potentials of the Atoms around Mg 2+ in the H-ras GTP and GDP Complexes

Chapter 32 Molecular Dynamics Study of Glutathione S-Transferase: Structure and Binding Character of Glutathione

Chapter 33 Designing the Binding Surface of Proteins to Construct Nano-fibers