THE PROGRESS OF PHYSICS
Part I Fundamental Theory 1 The Relativistic Kepler Problem and G¨odel’s Paradox 3 2 The Dirac Electron: Spin, Zitterbewegung, the Compton Wavelength, and the Kinetic Foundation of Rest Mass 23 3 Molecular Parity Violation and Chirality: The Asymmetry of Life and the Symmetry Violations in Physics 47 Part II Molecular Processes 4 Application of Density Matrix Methods to Ultrafast Processes 79 5 Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models 109 6 Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules 121 7 Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation 149 8 Systematics and Prediction in Franck-Condon Factors 179 9 ElectronMomentum Distribution and Atomic Collisions 193 10 Ab Initio Path Integral Molecular Dynamics Simulations of F2H and F2HC 3 207 11 Relativistic Energy Approach to Cooperative Electron-”-Nuclear Processes: NEET Effect 217 12 Advanced Relativistic Energy Approach to Radiative Decay Processes in Multielectron Atoms and Multicharged Ions 231 Part III Molecular Structure 13 Solving the Schr¨odinger Equation for the Hydrogen Molecular Ion in a Magnetic Field Using the Free- Complement Method 255 14 Description of Core-Ionized and Core-Excited States by Density Functional Theory and Time-Dependent Density Functional Theory 275 15 Intermolecular Potentials of the Carbon Tetrachloride and Trifluoromethane Dimers Calculated with Density Functional Theory 309 16 Ab initio Study of the Potential Energy Surface and Stability of the Li2 C(X2†g C) Alkali Dimer in Interaction with a Xenon Atom 321 17 Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters 331 18 Approximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond Systems 345 Part IV Molecular Properties 19 DFT Calculations of the Heterojunction Effect for PreciousMetal Cluster Catalysts 363 20 Luminescence Wavelengths and Energy Level Structure of Dinuclear Copper Complexes and Related Metal Complexes 377 21 Valence XPS, IR, and Solution 13C NMR Spectral Analysis of Representative Polymers by Quantum Chemical Calculations 393 Part V Condensed Matter 22 Quantum Decoherence at the Femtosecond Level in Liquids and Solids Observed by Neutron Compton Scattering 407 23 Variational Path Integral Molecular Dynamics Study of Small Para-Hydrogen Clusters 427 24 Origin of Antiferromagnetism in Molecular and Periodic Systems in the Original Kohn–Sham Local Density Approximation 437 25 Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory 449 26 Density Functional Study of Manganese Complexes: Protonation Effects on Geometry and Magnetism 461 27 Depth Profile Assignments of nm and m Orders by Quantum Chemical Calculations for Chitosan Films Modified by KrC Beam Bombardment 475 Part VI Biosystems 28 Color Tuning in Human Cone Visual Pigments: The Role of the Protein Environment 489 29 Free Energy of Cell-Penetrating Peptide through Lipid Bilayer Membrane: Coarse-Grained Model Simulation 503 30 Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the CuA Site in Cytochrome c Oxidase 513 31 The Potentials of the Atoms around Mg2C in the H-ras GTP and GDP Complexes 525 32 Molecular Dynamics Study of Glutathione S-Transferase: Structure and Binding Character of Glutathione 545 33 Designing the Binding Surface of Proteins to Construct Nano-fibers 555