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Author: Atanu Bhattacharya
Publisher: World Scientific
ISBN: 9811277184
Category : Science
Languages : en
Pages : 345
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Book Description
Computational spectroscopy and computational quantum chemical dynamics is a vast field in physical chemistry. Significant part of this field is developed based on the concepts of time-dependent quantum mechanics and its numerical implementations.This book gives an introduction to the Time-Dependent Quantum Chemistry for use with any introductory college/university course in optics, spectroscopy, kinetics, dynamics, or experimental physical chemistry or chemical physics of the kind usually taken by undergraduate and graduate students in physical chemistry. In this book, different concepts of time-dependent quantum mechanics are systematically presented by first giving emphasis on the contrasting viewpoint of classical and quantum mechanical motion of a particle, then by demonstrating the ways to find classical flavour in quantum dynamics, thereafter by formally defining the wavepacket which represents a quantum particle and finally by demonstrating numerical methods to explore the wavepacket dynamics in one dimension. Along with the analytical theory, accompanying Python chapters in this book take readers to a hands-on tour with Python programming by first giving them a quick introduction to the Python programming, then by introducing the position-space grid representation of the wavefunction, thereafter, by making them familiarized with the Fourier transform to represent the discretized wavefunction in momentum space, subsequently by showing the Python-based methodologies to express Hamiltonian operator in matrix form and finally by demonstrating the entire Python program which solves the wavepacket dynamics in one dimension under influence of time-independent Hamiltonian following split-operator approach.Rigorous class-testing of the presented lecture notes at the Indian Institute of Science, GITAM University and at NPTEL platform reveals that physical chemistry students, after thoroughly going through all chapters, not only develop an in-depth understanding of the wavepacket dynamics and its numerical implementations, but also start successfully writing their own Python code for solving any one dimensional wavepacket dynamics problem.
Author: Atanu Bhattacharya
Publisher: World Scientific
ISBN: 9811277184
Category : Science
Languages : en
Pages : 345
Get Book Here
Book Description
Computational spectroscopy and computational quantum chemical dynamics is a vast field in physical chemistry. Significant part of this field is developed based on the concepts of time-dependent quantum mechanics and its numerical implementations.This book gives an introduction to the Time-Dependent Quantum Chemistry for use with any introductory college/university course in optics, spectroscopy, kinetics, dynamics, or experimental physical chemistry or chemical physics of the kind usually taken by undergraduate and graduate students in physical chemistry. In this book, different concepts of time-dependent quantum mechanics are systematically presented by first giving emphasis on the contrasting viewpoint of classical and quantum mechanical motion of a particle, then by demonstrating the ways to find classical flavour in quantum dynamics, thereafter by formally defining the wavepacket which represents a quantum particle and finally by demonstrating numerical methods to explore the wavepacket dynamics in one dimension. Along with the analytical theory, accompanying Python chapters in this book take readers to a hands-on tour with Python programming by first giving them a quick introduction to the Python programming, then by introducing the position-space grid representation of the wavefunction, thereafter, by making them familiarized with the Fourier transform to represent the discretized wavefunction in momentum space, subsequently by showing the Python-based methodologies to express Hamiltonian operator in matrix form and finally by demonstrating the entire Python program which solves the wavepacket dynamics in one dimension under influence of time-independent Hamiltonian following split-operator approach.Rigorous class-testing of the presented lecture notes at the Indian Institute of Science, GITAM University and at NPTEL platform reveals that physical chemistry students, after thoroughly going through all chapters, not only develop an in-depth understanding of the wavepacket dynamics and its numerical implementations, but also start successfully writing their own Python code for solving any one dimensional wavepacket dynamics problem.
Author: Atanu Bhattacharya
Publisher: World Scientific Publishing Company
ISBN: 9789811277160
Category : Science
Languages : en
Pages : 0
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Book Description
Computational spectroscopy and computational quantum chemical dynamics is a vast field in physical chemistry. Significant part of this field is developed based on the concepts of time-dependent quantum mechanics and its numerical implementations. This book gives an introduction to the Time-Dependent Quantum Chemistry for use with any introductory college/university course in optics, spectroscopy, kinetics, dynamics, or experimental physical chemistry or chemical physics of the kind usually taken by undergraduate and graduate students in physical chemistry. In this book, different concepts of time-dependent quantum mechanics are systematically presented by first giving emphasis on the contrasting viewpoint of classical and quantum mechanical motion of a particle, then by demonstrating the ways to find classical flavour in quantum dynamics, thereafter by formally defining the wavepacket which represents a quantum particle and finally by demonstrating numerical methods to explore the wavepacket dynamics in one dimension. Along with the analytical theory, accompanying Python chapters in this book take readers to a hands-on tour with Python programming by first giving them a quick introduction to the Python programming, then by introducing the position-space grid representation of the wavefunction, thereafter, by making them familiarized with the Fourier transform to represent the discretized wavefunction in momentum space, subsequently by showing the Python-based methodologies to express Hamiltonian operator in matrix form and finally by demonstrating the entire Python program which solves the wavepacket dynamics in one dimension under influence of time-independent Hamiltonian following split-operator approach. Rigorous class-testing of the presented lecture notes at the Indian Institute of Science, GITAM University and at NPTEL platform reveals that physical chemistry students, after thoroughly going through all chapters, not only develop an in-depth understanding of the wavepacket dynamics and its numerical implementations, but also start successfully writing their own Python code for solving any one dimensional wavepacket dynamics problem.
Author: Steve Spicklemire
Publisher: CRC Press
ISBN: 1040030092
Category : Science
Languages : en
Pages : 79
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Book Description
Quantum Mechanics can be an abstract and complex subject. Students often complain of confusion, struggle, and frustration as they try to master the topic. The goal of this book is to reduce the complexity and clarify the abstractions with concrete visual examples driven by simple python programs. It is assumed that the reader is concurrently taking a course in quantum mechanics, or self-studying quantum mechanics, but is looking for supplementary material to help with understanding and visualizing how quantum mechanics works. The focus of this book is writing python programs to visualize the underlying behavior of the mathematical theory. The background needed to understand quantum mechanics is differential equations, linear algebra and modern physics. We need a strong foundation in differential equations and linear algebra because the behavior of quantum systems is governed by equations that are written in terms of these concepts. Modern physics includes concepts such as special relativity and quantum phenomena like the photoelectric effect and energy quantization that the theory of quantum mechanics seeks to explain. This book is also not an introduction to the python programming language, or to numpy, or even to VPython. However its programming examples start simply and grow more complex as the chapters progress, so deep expertise in any of these is not a pre-requisite. Key features: · Provides an accessible and practical guide to the abstractions in quantum mechanics with concrete visual examples driven by simple python programs. · Contains few derivations, equations, and proofs. · For complete beginners of python programming, appendix B serves as a very brief introduction to the main concepts needed to understand the code in this book. Dr. Stephen Spicklemire is Associate Professor of Physics at the University of Indianapolis, USA. He has been teaching physics at the University of Indianapolis for more than 30 years. From the implementation of "flipped" physics class to the modernization of scientific computing and laboratory instrumentation courses, he has brought the strengths of his background in physics, engineering and computer science into the classroom. Dr. Spicklemire also does IT and engineering consulting. He is an active participant in several national research initiatives relating to improving physics education. These range from improving materials to help students prepare for class, to supporting students success through standards based grading. He is an active developer of the VPython and WebVPython projects and a contributor to the Matter and Interactions textbook.
Author: M L Munjal
Publisher: World Scientific
ISBN: 9811283168
Category : Science
Languages : en
Pages : 441
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Book Description
This unique compendium stresses on physical concepts and the applications to practical problems. The authors' decades of experience in teaching, research and industrial consultancy are reflected in the choice of the solved examples and unsolved problems.The second edition has three additional chapters containing topics of vibration and acoustic sensors and instruments, finite element method (FEM), boundary element method (BEM) and statistical energy analysis (SEA), etc, thus enabling students to solve real-life problems in industrial and automotive noise control.The useful reference text targets senior undergraduate mechanical and environmental engineering students as well as designers of industrial machinery and layouts. The book can readily be used for self-study by practicing designers and engineers. Mathematical derivations are avoided and illustrations, tables and empirical formulae are included for ready reference.
Author: Andrei Tokmako
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: Jay Wang
Publisher: John Wiley & Sons
ISBN: 1119239885
Category : Science
Languages : en
Pages : 986
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Book Description
Computational Modeling, by Jay Wang introduces computational modeling and visualization of physical systems that are commonly found in physics and related areas. The authors begin with a framework that integrates model building, algorithm development, and data visualization for problem solving via scientific computing. Through carefully selected problems, methods, and projects, the reader is guided to learning and discovery by actively doing rather than just knowing physics.
Author: M P Anantram (Anant)
Publisher: World Scientific
ISBN: 9811274401
Category : Science
Languages : en
Pages : 739
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Book Description
This introductory book is aimed at students of engineering and material science who want to learn the necessary toolboxes of practical quantum mechanics. The authors have made sure that all the calculations are complete, and they have avoided the usage of the familiar phrase, 'it can be easily shown' while being mathematically rigorous. Knowledge of the sophomore level introduction to ordinary differential equations is all that is needed. Well-designed and modern examples help the reader grasp and digest the concept before moving to the next one. The book offers a lucid exposition to the modern field of quantum computing and quantum gates, two-level systems, orbitals, spin, periodic solids, tunneling, and Fermi golden rule. The basics of electronic and optical properties of nanomaterials using the basics of quantum mechanics are presented without the reader getting lost in research articles with different notations and units.There are numerous examples in the book covering topics such as carbon nanotubes, graphene, superconducting qubits, principle of scanning tunneling microscopy, heterostructure based terahertz generation and negative differential resistance device, quantized LC circuit, Grover's search algorithm, phase kickback, quantum dots, well, nanowires, quantum of conductance, ballistic conductor, spin-orbit coupling, and spin transistor. Authors use analogies based on familiar engineering concepts wherever possible to broaden the view of the reader. The philosophy behind the book is teaching by showing how it is done and using 'pictures' which is worth 1000 words.
Author: Joshua Izaac
Publisher: Springer
ISBN: 3319999303
Category : Science
Languages : en
Pages : 494
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Book Description
Quantum mechanics undergraduate courses mostly focus on systems with known analytical solutions; the finite well, simple Harmonic, and spherical potentials. However, most problems in quantum mechanics cannot be solved analytically. This textbook introduces the numerical techniques required to tackle problems in quantum mechanics, providing numerous examples en route. No programming knowledge is required – an introduction to both Fortran and Python is included, with code examples throughout. With a hands-on approach, numerical techniques covered in this book include differentiation and integration, ordinary and differential equations, linear algebra, and the Fourier transform. By completion of this book, the reader will be armed to solve the Schrödinger equation for arbitrarily complex potentials, and for single and multi-electron systems.
Author: Jason Test
Publisher:
ISBN: 9789918608867
Category :
Languages : en
Pages : 392
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Book Description
★ 55% OFF for Bookstores! LAST DAYS! ★ "Your Client Will Appreciate This fabulous guide with unique contents" "Master the best methods for PYTHON. Learn how to programming as a pro and get positive ROI in 7 days with data science and machine learning" Are you looking for a super-fast computer programming course? Would you like to learn the Python Programming Language in 7 days? Do you want to increase your business thanks to the web applications? Finally on launch the most complete Python+Quantum Physics guide with 3 Manuscripts in 1 book! This is a challenging tool to find real help with many unique contents that indirectly will answer to your doubts: 1-Python for Data Science 2-Python Crash Course 3-Quantum Physics for Beginners QUANTUM PHYSICS WITH PYTHON will introduce you many selected practices for coding. You will discover as a beginner the world of data science, machine learning and artificial intelligence. The following list is just a tiny fraction of what you will learn in this collection bundle. 1) PYTHON CRASH COURSE ✓3 reasons why Python is fundamental for Data Science ✓How to use Python Data Analysis in your business ✓ How to set up the Python environment for Data Science ✓Most important Machine Learning Algorithms 2) PYTHON FOR DATA SCIENCE ✓ A Proven Method to Write your First Program in 7 Days ✓The One Thing You Need to Debug your Codes in Python ✓5 Practical exercises to start programming 3) QUANTUM PHYSICS FOR BEGINNERS ✓The law and principles of quantum physics and the law of attraction; ✓The power of quantum ✓Differences between Quantum cryptography and Quantum computers Examples and step-by-step guides will guide you during the code-writing learning process.
Author: Roman Trobec
Publisher: Springer Science & Business Media
ISBN: 1848824092
Category : Computers
Languages : en
Pages : 531
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Book Description
The use of parallel programming and architectures is essential for simulating and solving problems in modern computational practice. There has been rapid progress in microprocessor architecture, interconnection technology and software devel- ment, which are in?uencing directly the rapid growth of parallel and distributed computing. However, in order to make these bene?ts usable in practice, this dev- opment must be accompanied by progress in the design, analysis and application aspects of parallel algorithms. In particular, new approaches from parallel num- ics are important for solving complex computational problems on parallel and/or distributed systems. The contributions to this book are focused on topics most concerned in the trends of today’s parallel computing. These range from parallel algorithmics, progr- ming, tools, network computing to future parallel computing. Particular attention is paid to parallel numerics: linear algebra, differential equations, numerical integ- tion, number theory and their applications in computer simulations, which together form the kernel of the monograph. We expect that the book will be of interest to scientists working on parallel computing, doctoral students, teachers, engineers and mathematicians dealing with numerical applications and computer simulations of natural phenomena.
