Understanding properties of atoms, molecules and materials [electronic resource] First edition

상세정보

자료유형	단행본
서명/저자사항	Understanding properties of atoms, molecules and materials [electronic resource] / Pranab Sarkar, Department of Chemistry, Visva-Bharati. Santiniketa, Sankar Prasad Bhattacharyya, Indian Association for the Cultivation of Science, Jadavpur, Kolkata.
개인저자	Sarkar, Pranab, author. Bhattacharyya, Sankar Prasad, author.
판사항	First edition.
발행사항	Boca Raton, FL: CRC Press, 2022.
형태사항	1 online resource : illustrations
ISBN	9781003244882 1003244882 9781000504460 1000504468 9781000504439 1000504433
기타표준부호	10.1201/9781003244882doi
서지주기	Includes bibliographical references and index.
내용주기	Cover Page -- Half Title -- Title Page -- Contents -- Preface -- Authors -- 1 The Science of Materials -- 1.1 Introduction: The Age of Materials -- 1.2 Atoms, Molecules and Solids -- 1.2.1 More on Unit Cells -- 1.3 From Atoms and Molecules to Materials -- 1.4 The Need for Theoretical Understanding -- 1.5 Topics Covered -- 1.5.1 The Mechanics of the Microworld -- 1.5.2 Quantum Mechanics of Atoms -- 1.5.3 Quantum Mechanics of Molecules -- 1.5.4 Quantum States in Solids -- 1.5.5 Classical Statistical Mechanics -- 1.5.6 Quantum Statistical Mechanics -- 1.5.7 Traditional Materials 1.5.8 Smart Materials -- 1.5.9 Magnetic Materials -- 1.5.10 Low-Dimensional Materials -- 1.5.11 NLO and Energy Materials -- 1.5.12 Materials Design -- 1.6 Classification of Materials -- 1.7 Future Outlook -- References -- 2 Quantum Mechanics -- 2.1 Introduction: Mechanics of the Microworld -- 2.2 Law of Quantum Evolution: The Schrödinger Equation -- 2.2.1 Axiomatic Foundation of Quantum Mechanics -- 2.2.2 Postulates of Quantum Mechanics -- 2.3 Observables, Operators and Their Eigenfunctions -- 2.3.1 More About Hermiticity and Hermitian Conjugates -- 2.4 Commuting and Non-Commuting Observables 2.5 Stationary States of Quantum Systems -- 2.5.1 The Free Particle -- 2.5.2 Stationary States of a Simple Harmonic Oscillator -- 2.6 The Tunnel Effect -- 2.6.1 Tunneling Across a Rectangular Potential Barrier -- 2.7 Heisenberg's Formulation of Quantum Mechanics -- 2.7.1 Matrix Representations for x and px -- 2.7.2 Zero Point Oscillation -- 2.7.3 Harmonic Oscillator in Three Dimensions -- 2.7.4 Quantum States in Infinitely Deep Potential Wells -- 2.8 Representations in Quantum Mechanics -- 2.8.1 Coordinate Representation -- 2.8.2 Momentum Representation 2.8.3 Matrix Representation -- 2.8.4 Vector Space Formulation -- References -- 3 Quantum Mechanics of Atoms -- 3.1 Introduction -- 3.2 The Periodic Table of Elements -- 3.3 The Quantum States of the Hydrogenic Atoms: Symmetry -- 3.4 Rotational Symmetry, Angular Momentum, Eigenstates and Parity -- 3.5 Orbital Angular Momentum of Electron -- 3.5.1 Spherical Harmonics and Eigenstates of Rigid Rotator -- 3.5.2 Radial Motion of the Electron in H-Atom -- 3.5.3 Asymptotic Forms of R(r) and Continuous Energy Spectrum -- 3.5.4 Discrete Spectrum of Energy -- 3.5.5 Energy Degeneracy: Discrete Spectrum 3.5.6 Complete Wavefunction of a Hydrogen Atom -- 3.6 Spin Angular Momentum -- 3.7 Total Angular Momentum (J): General Addition of Angular Momentum -- 3.8 Many Electron Atoms: Aufbau Principle -- 3.8.1 Periods and Shells -- 3.8.2 Groups and Outer Shells -- 3.8.3 A Case Study of Two-Electrons Atoms: He -- 3.8.4 Designating Electronic States of a He Atom -- 3.8.5 Constructing Wavefunctions for the Two-Electron States of the He Atom -- 3.8.6 Calculating Energy of He Atom in the Ground State: Variational Approximation -- 3.9 More on Variational Methods -- References -- 4 Molecular Quantum Mechanics
요약	"The book introduces the readers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids,with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts are illustrated with easy to grasp examples, thus preparing the readers for an exploration through the world of materials - the exotic and the mundane. The emphasis has been on the phenomena and what shapes them at the fundamental level. A fairly comprehensive description of modern designing principles for materials with examples is a unique feature of the book"--
해제	Provided by publisher.
일반주제명	Chemistry, Physical and theoretical. Quantum chemistry. Molecular dynamics. Materials science. Chemistry, Physical and theoretical. Materials science. Molecular dynamics. Quantum chemistry. SCIENCE / Chemistry / Physical & Theoretical SCIENCE / Physics TECHNOLOGY / Engineering / Chemical & Biochemical
분류기호(DDC)	530.4
언어	영어
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