Ideas of quantum chemistry / by Lucjan Piela, Deparment of Chemistry, University of Warsaw, Warsaw, Poland.

Format:

Book

Author/Creator:

Piela, Lucjan, 1943-

Language:

English

Subjects (All):

Quantum chemistry.

Physical Description:

1 online resource (xxxv, 1037 pages) : illustrations (some color)

Edition:

Second edition.

Place of Publication:

Amsterdam : Elsevier, 2014.

Language Note:

English

Summary:

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry.

Contents:

Tree; Tree Text; Half Title; Title Page; Copyright; Dedication; Contents; Sources of Photographs and Figures; Introduction; 1 The Magic of Quantum Mechanics; 1.1 History of a Revolution; 1.2 Postulates of Quantum Mechanics; 1.3 The Heisenberg Uncertainty Principle; 1.4 The Copenhagen Interpretation of the World; 1.5 Disproving the Heisenberg Principle-Einstein-Podolsky-Rosen's Recipe; 1.6 Schrödinger's Cat; 1.7 Bilocation; 1.8 The Magic of Erasing the Past; 1.9 A Test for a Common Sense: The Bell Inequality; 1.10 Photons Violate the Bell Inequality; 1.11 Teleportation; 1.12 Quantum Computing

Additional Literature2 The Schrödinger Equation; 2.1 Symmetry of the Hamiltonian and Its Consequences; 2.1.1 The Non-Relativistic Hamiltonian and Conservation Laws; 2.1.2 Invariance with Respect to Translation; 2.1.3 Invariance with Respect to Rotation; 2.1.4 Invariance with Respect to Permutation of Identical Particles (Fermions and Bosons); 2.1.5 Invariance of the Total Charge; 2.1.6 Fundamental and Less Fundamental Invariances; 2.1.7 Invariance with Respect to Inversion-Parity; 2.1.8 Invariance with Respect to Charge Conjugation

2.1.9 Invariance with Respect to the Symmetry of the Nuclear Framework2.1.10 Conservation of Total Spin; 2.1.11 Indices of Spectroscopic States; 2.2 Schrödinger Equation for Stationary States; 2.2.1 Wave Functions of Class Q; 2.2.2 Boundary Conditions; 2.2.2.1 Mathematical and Physical Solutions; 2.3 The Time-Dependent Schrödinger Equation; 2.3.1 Evolution in Time; 2.3.2 Time Dependence of Mechanical Quantities; 2.3.3 Energy Is Conserved; 2.3.4 Symmetry Is Conserved; 2.3.5 Meditations at a Spring; 2.3.6 Linearity; 2.4 Evolution After Switching a Perturbation

2.4.1 The Two-State Model-Time-Independent Perturbation2.4.2 Two States-Degeneracy; 2.4.3 The Two-State Model - An Oscillating Perturbation; 2.4.4 Two States-Resonance Case; 2.4.5 Short-Time Perturbation-The First-Order Approach; 2.4.6 Time-Independent Perturbation and the Fermi Golden Rule; 2.4.7 The Most Important Case: Periodic Perturbation; Additional Literature; 3 Beyond the Schrödinger Equation; 3.1 A Glimpse of Classical Relativity Theory; 3.1.1 The Vanishing of Apparent Forces; 3.1.2 The Galilean Transformation; 3.1.3 The Michelson-Morley Experiment

3.1.4 The Galilean Transformation Crashes3.1.5 The Lorentz Transformation; 3.1.6 New Law of Adding Velocities; 3.1.7 The Minkowski Space-Time Continuum; 3.1.8 How Do We Get E=mc2?; 3.2 Toward Relativistic Quantum Mechanics; 3.3 The Dirac Equation; 3.3.1 The Dirac Electronic Sea and the Day of Glory; 3.3.2 The Dirac Equations for Electrons and Positrons; 3.3.3 Spinors and Bispinors; 3.3.4 What Next?; 3.3.5 Large and Small Components of the Bispinor; 3.3.6 How to avoid Drowning in the Dirac Sea; 3.3.7 From Dirac to Schrödinger-How Is the Non-Relativistic Hamiltonian Derived?

3.3.8 How Does the Spin Appear?

Notes:

Description based upon print version of record.

Includes bibliographical references and indexes.

Description based on online resource; title from PDF title page (ebrary, viewed December 16, 2013).

ISBN:

9780444594570 (e-book)

9780444594365 (hbk.)

OCLC:

880438325