05421nam 2200661 450 991013216000332120200520144314.03-527-66758-X3-527-66757-13-527-66755-5(CKB)3710000000245855(EBL)1794561(SSID)ssj0001375404(PQKBManifestationID)11907094(PQKBTitleCode)TC0001375404(PQKBWorkID)11337158(PQKB)10581123(MiAaPQ)EBC1794561(Au-PeEL)EBL1794561(CaPaEBR)ebr10941719(OCoLC)891449988(PPN)220889058(EXLCZ)99371000000024585520141001h20152015 uy 0engurcnu||||||||txtccrRelativistic quantum chemistry the fundamental theory of molecular science /Markus Reiher and Alexander WolfSecond edition.Weinheim an der Bergstrasse, Germany :Wiley-VCH,2015.©20151 online resource (765 p.)Description based upon print version of record.3-527-33415-7 Includes bibliographical references and index.Cover; Title Page; Contents; Preface; Preface to the Second Edition; Preface to the First Edition; 1 Introduction; 1.1 Philosophy of this Book; 1.2 Short Reader's Guide; 1.3 Notational Conventions and Choice of Units; Part I: FUNDAMENTALS; 2 Elements of Classical Mechanics and Electrodynamics; 2.1 Elementary Newtonian Mechanics; 2.1.1 Newton's Laws of Motion; 2.1.2 Galilean Transformations; 2.1.2.1 Relativity Principle of Galilei; 2.1.2.2 General Galilean Transformations and Boosts; 2.1.2.3 Galilei Covariance of Newton's Laws; 2.1.2.4 Scalars, Vectors, and Tensors in Three-Dimensional Space2.1.3 Basic Conservation Laws for One Particle in Three Dimensions 2.1.4 Collection of N Particles; 2.2 Lagrangian Formulation; 2.2.1 Generalized Coordinates and Constraints; 2.2.2 Hamiltonian Principle and Euler-Lagrange Equations; 2.2.2.1 Discrete System of Point Particles; 2.2.2.2 Example: Planar Pendulum; 2.2.2.3 Continuous Systems of Fields; 2.2.3 Symmetries and Conservation Laws; 2.2.3.1 Gauge Transformations of the Lagrangian; 2.2.3.2 Energy and Momentum Conservation; 2.2.3.3 General Space-Time Symmetries; 2.3 Hamiltonian Mechanics; 2.3.1 Hamiltonian Principle and Canonical Equations2.3.1.1 System of Point Particles 2.3.1.2 Continuous System of Fields; 2.3.2 Poisson Brackets and Conservation Laws; 2.3.3 Canonical Transformations; 2.4 Elementary Electrodynamics; 2.4.1 Maxwell's Equations; 2.4.2 Energy and Momentum of the Electromagnetic Field; 2.4.2.1 Energy and Poynting's Theorem; 2.4.2.2 Momentum and Maxwell's Stress Tensor; 2.4.2.3 Angular Momentum; 2.4.3 Plane Electromagnetic Waves in Vacuum; 2.4.4 Potentials and Gauge Symmetry; 2.4.4.1 Lorenz Gauge; 2.4.4.2 Coulomb Gauge; 2.4.4.3 Retarded Potentials; 2.4.5 Survey of Electro- and Magnetostatics; 2.4.5.1 Electrostatics2.4.5.2 Magnetostatics 2.4.6 One Classical Particle Subject to Electromagnetic Fields; 2.4.7 Interaction of Two Moving Charged Particles; Further Reading; 3 Concepts of Special Relativity; 3.1 Einstein's Relativity Principle and Lorentz Transformations; 3.1.1 Deficiencies of Newtonian Mechanics; 3.1.2 Relativity Principle of Einstein; 3.1.3 Lorentz Transformations; 3.1.3.1 Definition of General Lorentz Transformations; 3.1.3.2 Classification of Lorentz Transformations; 3.1.3.3 Inverse Lorentz Transformation; 3.1.4 Scalars, Vectors, and Tensors in Minkowski Space3.1.4.1 Contra and Covariant Components 3.1.4.2 Transformation Properties of Scalars, Vectors, and Tensors; 3.2 Kinematic Effects in Special Relativity; 3.2.1 Explicit Form of Special Lorentz Transformations; 3.2.1.1 Lorentz Boost in One Direction; 3.2.1.2 General Lorentz Boost; 3.2.2 Length Contraction, Time Dilation, and Proper Time; 3.2.2.1 Length Contraction; 3.2.2.2 Time Dilation; 3.2.2.3 Proper Time; 3.2.3 Addition of Velocities; 3.2.3.1 Parallel Velocities; 3.2.3.2 General Velocities; 3.3 Relativistic Dynamics; 3.3.1 Elementary Relativistic Dynamics3.3.1.1 Trajectories and Relativistic VelocityEinstein proposed his theory of special relativity in 1905. For a long time it was believed that this theory has no significant impact on chemistry. This view changed in the 1970's when it was realized that (nonrelativistic) Schrödinger quantum mechanics yields results on molecular properties that depart significantly from experimental results. Especially when heavy elements are involved, these quantitative deviations can be so large that qualitative chemical reasoning and understanding is affected. For this to grasp the appropriate many-electron theory has rapidly evolved. Nowadays relativist...Quantum chemistryRelativistic quantum theoryQuantum chemistry.Relativistic quantum theory.541.28Reiher Markus932005Wolf AlexanderDr.,MiAaPQMiAaPQMiAaPQBOOK9910132160003321Relativistic quantum chemistry2096319UNINA