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▼a 9781003244882
▼q electronic book |
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▼a 1003244882
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▼a 9781000504460
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▼a 1000504468
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▼a 9781000504439
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▼a 1000504433
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▼z 9780367030346
▼q hardcover |
| 020 | |
▼z 9781032156002
▼q paperback |
| 020 | |
▼z 0367030349 |
| 024 | 7 |
▼a 10.1201/9781003244882
▼2 doi |
| 035 | |
▼a 2958123
▼b (N$T) |
| 035 | |
▼a (OCoLC)1284919341
▼z (OCoLC)1283899651
▼z (OCoLC)1292564633
▼z (OCoLC)1292589457
▼z (OCoLC)1292590549
▼z (OCoLC)1292704159
▼z (OCoLC)1292706775
▼z (OCoLC)1292730583
▼z (OCoLC)1292731261
▼z (OCoLC)1293262806
▼z (OCoLC)1294295641 |
| 037 | |
▼a 9781003244882
▼b Taylor & Francis |
| 040 | |
▼a DLC
▼b eng
▼c DLC
▼d OCLCF
▼d OCLCO
▼d TYFRS
▼d YDX
▼d EBLCP
▼d UKAHL
▼d N$T
▼d 224010
▼e rda |
| 050 | 04 |
▼a QD453.3
▼b .S27 2022 |
| 072 | 7 |
▼a SCI
▼x 013050
▼2 bisacsh |
| 072 | 7 |
▼a SCI
▼x 055000
▼2 bisacsh |
| 072 | 7 |
▼a TEC
▼x 009010
▼2 bisacsh |
| 072 | 7 |
▼a PH
▼2 bicssc |
| 082 | 04 |
▼a 530.4
▼2 22 |
| 090 | |
▼a 530.4 |
| 100 | 1 |
▼a Sarkar, Pranab,
▼e author. |
| 245 | 10 |
▼a Understanding properties of atoms, molecules and materials
▼h [electronic resource] /
▼c Pranab Sarkar, Department of Chemistry, Visva-Bharati. Santiniketa, Sankar Prasad Bhattacharyya, Indian Association for the Cultivation of Science, Jadavpur, Kolkata. |
| 250 | |
▼a First edition. |
| 260 | |
▼a Boca Raton, FL:
▼b CRC Press,
▼c 2022. |
| 300 | |
▼a 1 online resource :
▼b illustrations |
| 336 | |
▼a text
▼b txt
▼2 rdacontent |
| 337 | |
▼a computer
▼b c
▼2 rdamedia |
| 338 | |
▼a online resource
▼b cr
▼2 rdacarrier |
| 504 | |
▼a Includes bibliographical references and index. |
| 505 | 0 |
▼a 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 |
| 505 | 8 |
▼a 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 |
| 505 | 8 |
▼a 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 |
| 505 | 8 |
▼a 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 |
| 505 | 8 |
▼a 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 |
| 520 | |
▼a "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"--
▼c Provided by publisher. |
| 545 | 0 |
▼a Prof. Pranab Sarkar received his PhD from Indian Association for the Cultivation of Science, Kolkata, India in 1997. After pursuing his postdoc- toral research in the University of Montreal, Canada, Dr. Sarkar started his professional career in the Dept. of Chemistry, Visva-Bharati, Santiniketan, India in the year 1999. He also served as a visiting Scientist at the University of Saarland, Germany during the period of 2001-2003. Presently, he is a Professor in the Dept. of Chemistry, Visva-Bharati, Santiniketan. Professor Sarkar is an expert in the field of Computational Materials Science and his primary research interest is to employ state of the art theoretical methods to understand and predict material properties at nanoscale. He has made significant contributions to the identification of suitable materials for green sustainable energy and also for spintronic applications. He has published more than 165 papers in internationally reputed journals and a number of book chapters and reviews. Prof. Sankar Prasad Bhattacharyya is fellow of the Indian Academy of Sciences and spent three years (2012-2015) in the Dept. of Chemistry, IIT Bombay as Raja Ramanna Fellow, Department of Atomic Energy, GOI. He retired as Senior Professor of Physical Chemistry, Indian Association for the Cultivation of Science (IACS), Kolkata. Presently he is a visiting Professor at the School of Chemical Sciences, IACS Uni- versity, Kolkata, India. His main research interest is in the area of quantum chemistry and his distinguished career in the theoretical chemistry spans a period of over 35 years. His work on the development of new computational techniques, with particlular focus on global opti- mizations, for the treatment of complex problems in molecular chemistry and physics is well documented by an impressive list of highly influential publications in the field, devoted both to traditional mathematical techniques and more recently, to soft computing-oriented approaches. He has supervised more than 20 PhD and 30 undergraduate project students. His publications included more than 200 papers in peer-reviewed journals and a number of book chapters. |
| 650 | 0 |
▼a Chemistry, Physical and theoretical. |
| 650 | 0 |
▼a Quantum chemistry. |
| 650 | 0 |
▼a Molecular dynamics. |
| 650 | 0 |
▼a Materials science. |
| 650 | 7 |
▼a Chemistry, Physical and theoretical.
▼2 fast
▼0 (OCoLC)fst00853521 |
| 650 | 7 |
▼a Materials science.
▼2 fast
▼0 (OCoLC)fst01011957 |
| 650 | 7 |
▼a Molecular dynamics.
▼2 fast
▼0 (OCoLC)fst01024778 |
| 650 | 7 |
▼a Quantum chemistry.
▼2 fast
▼0 (OCoLC)fst01085086 |
| 650 | 7 |
▼a SCIENCE / Chemistry / Physical & Theoretical
▼2 bisacsh |
| 650 | 7 |
▼a SCIENCE / Physics
▼2 bisacsh |
| 650 | 7 |
▼a TECHNOLOGY / Engineering / Chemical & Biochemical
▼2 bisacsh |
| 655 | 4 |
▼a Electronic books. |
| 655 | 0 |
▼a Electronic books. |
| 700 | 1 |
▼a Bhattacharyya, Sankar Prasad,
▼e author. |
| 856 | 40 |
▼3 EBSCOhost
▼u https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=2958123 |