Handbook of Relativistic Quantum Chemistry

Section Introduction to Relativistic Quantum Chemistry: Concepts of Special Relativity;  Dirac operator and its properties; Nuclear Charge Density and Magnetization Distributions; Relativistic Self-Consistent Fields; One-Particle Basis Sets for Relativistic Calculations. Section Introduction to Quantum Electrodynamics: QED effects and challenges;  Effective QED Hamiltonians; Two-time Greens Function Method; Unifying Many-Body Perturbation Theory with Quantum Electrodynamics; Introduction to bound-state quantum electrodynamics. <br/>Section Relativistic Hamiltonians : With-Pair Relativistic Hamiltonians; No-Pair Relativistic Hamiltonians: Q4C and X2C; Sequential Decoupling of Negative-Energy States in Douglas–Kroll–Hess Theory; Spin Separation of Relativistic Hamiltonians; Zero-Field Splitting in Transition Metal Complexes: Ab InitioCalculations, Effective Hamiltonians, Model Hamiltonians and Crystal-Field Models.<br/><br/> Section Relativistic Wave Functions : Relativistic Effective Core Potentials; Basic structures of relativistic wave functions Coalescence conditions of relativistic wave functions; Relativistic Explicit Correlation: Problems and Solutions.<br/><br/> Section Relativistic Quantum Chemical Methods : Relativistic Methods for Calculating Electron; Paramagnetic Resonance (EPR) Parameters Relativistic Theory of Nuclear Spin-Rotation Tensor; Relativistic Density Functional Theory; Relativistic Theories of NMR Shielding; Relativistic Calculations of Atomic Clock; Relativistic Many-Body Aspects of the Electron Electric Dipole Moment Searches Using Molecules Relativistic Equation-of-Motion Coupled-Cluster Theory (EOM-CC). <br/>Section Applications of Relativistic Quantum Chemical Methods: High-Accuracy Relativistic Coupled Cluster Calculations for the Heaviest Elements; Relativistic Quantum Chemistry for Chemical Identification of the Superheavy Elements.<br/><br/><br/>