Introduction to time-dependent quantum mechanics with Python / Atanu Bhattacharya, Gandhi Institute of Technology and Management, India, Elliot R. Bernstein, Colorado State University, USA.

Format:

Book

Author/Creator:

Bhattacharya, Atanu, 1983- author.

Bernstein, E. R. (Elliot R.), author.

Contributor:

Rosengarten Family Fund.

Series:

IISc lecture notes series ; 7.

IISc lecture notes series, 2010-2402 ; volume 7

Language:

English

Subjects (All):

Quantum chemistry--Textbooks.

Quantum chemistry.

Quantum chemistry--Data processing--Textbooks.

Python (Computer program language)--Textbooks.

Python (Computer program language).

Genre:

Textbooks

Physical Description:

xxvi, 318 pages : illustrations ; 24 cm.

Place of Publication:

New Jersey : World Scientific, [2024]

Summary:

"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"-- Provided by publisher.

Notes:

Includes bibliographical references and index.

Local Notes:

Acquired for the Penn Libraries with assistance from the Rosengarten Family Fund.

ISBN:

9789811277160

9811277168

OCLC:

1404058760

Publisher Number:

99996520006