Structural chemistry : principles, methods, and case studies /: principles, methods, and case studies. (2018)

• Record Type: Book
• Further Information: Note: Mihai V. Putz, Fanica Cimpoesu, Marilena Ferbinteanu.
• Authors: Putz, Mihai V; Cimpoesu, Fanica; Ferbinteanu, Marilena
• Contents: Intro; Foreword I; Foreword II; Preface; Acknowledgements; Contents; About the Authors; 1 Atomic Structure and Quantum Mechanics; Abstract; 1.1 The Long Road from Democritus to Bohr; 1.1.1 Arcadian Antiquity; 1.1.2 Along the Centuries, to the Positivist Era; 1.1.3 Bohr's Atomic Model: Natura Facit Saltus!; 1.2 The Dawn of Quantum Theory and the Founding Fathers; 1.2.1 The Revolutionary Milieu and Quantum Mechanics; 1.2.2 Modus Operandi: Waves and Operators; 1.2.3 The Schrödinger Equation and Schrödinger's Cat; 1.2.4 The Heisenberg Equations: Uncertainty and Matrix Mechanics 1.2.5 Hamiltonian Matrices, Non-orthogonal Bases, Variational Methods1.3 Atomic Shell Structure and the Spherical Harmonics; 1.3.1 Atomic Orbitals and Quantum Numbers: The Radial-Angular Factorization of the Atomic Wave Functions; 1.3.2 Intuitive Primer on the Pattern of Atomic Orbitals; 1.3.3 Toward Setting the Schrödinger Equation in Atoms; 1.3.4 The Schrödinger Equation for the One-Electron Atom: The Radial Part; 1.3.5 A Qualitative Analysis of the Radial Nodal Structure of the Atomic Orbitals; 1.3.6 The Complete Analytic Formulas of the Atomic Orbitals; 1.3.7 A Philosophical Divagation 1.4 Elements of Relativistic Quantum Mechanics1.4.1 The Electronic Spin, the Missing Link Between Atomic Shell Scheme and Chemical Systematics from the Periodic Table of Elements; 1.4.2 First Principles of Relativistic Quantum Mechanics: Klein-Gordon and Dirac Equations; 1.4.3 The Quantum Numbers of Dirac Relativistic Equations; 1.4.4 The Two Quantum Worlds of Dirac Equations: Small and Large Spinor Components; 1.4.5 Toward the Relativistic Atom: Electromagnetism Instead of Electrostatics 1.7 Free and Observed Quantum Evolution: Extended Heisenberg Uncertainly Relationship (HUR) by Path Integrals1.7.1 HUR by Periodic Paths; 1.7.2 Wave-Particle Ratio Function; 1.7.3 Extended HUR; 1.8 Conclusions; References; 2 Wave Function Theories and Electronic Structure Methods: Quantum Chemistry, from Atoms to Molecules; Abstract; 2.1 Poly-electronic Wave Functions from Spin-Orbitals; 2.1.1 Indiscernible Electrons and Anti-symmetric Wave Functions with Slater Determinants; 2.1.2 Matrix Elements in a Basis of Slater Determinants: The Slater Rules
• Publisher Details: Cham, Switzerland : Springer
• Publication Date: 2018
• Extent: 1 online resource (xxx, 802 pages), illustrations (some color)
• Subjects: 541/.22; Chemistry; Chemical structure; Quantum chemistry; SCIENCE -- Chemistry -- Physical & Theoretical; Chemical structure; Quantum chemistry; Technology & Engineering -- Material Science; Materials science; Physical chemistry; Materials; Chemistry, Physical organic; Quantum & theoretical chemistry; Electronic books
• Languages: English
• ISBNs: 9783319558752; 3319558757
• Related ISBNs: 9783319558738; 3319558730
• Notes: Note: Includes bibliographical references and index.; Note: Online resource; title from PDF title page (SpringerLink, viewed March 29, 2018).
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.