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.

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.

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.

The classic in the field for more than 25 years, now with more emphasis on data science and machine learning Computational physics combines physics, applied mathematics, and computer science in a cutting-edge multidisciplinary approach to solving realistic physical problems. It has become integral to modern physics research because of its capacity to bridge the gap between mathematical theory and real-world system behavior. Computational Physics provides the reader with the essential knowledge to understand computational tools and mathematical methods well enough to be successful. Its philosophy is rooted in “learning by doing”, assisted by many sample programs in the popular Python programming language. The first third of the book lays the fundamentals of scientific computing, including programming basics, stable algorithms for differentiation and integration, and matrix computing. The latter two-thirds of the textbook cover more advanced topics such linear and nonlinear differential equations, chaos and fractals, Fourier analysis, nonlinear dynamics, and finite difference and finite elements methods. A particular focus in on the applications of these methods for solving realistic physical problems. Readers of the fourth edition of Computational Physics will also find: Brand-new chapters on general relativity and the computational physics of soft matter An exceptionally broad range of topics, from simple matrix manipulations to intricate computations in nonlinear dynamics A whole suite of supplementary material: Python programs, Jupyter notebooks and videos Computational Physics is ideal for students in physics, engineering, materials science, and any subjects drawing on applied physics.

★ 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.

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.