Spectral Methods in Chemistry and Physics

Spectral Methods in Chemistry and Physics
Author: Bernard Shizgal
Publisher: Springer
Total Pages: 431
Release: 2015-01-07
Genre: Science
ISBN: 9401794545

This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficients in gases and other gas dynamical problems based on spectral and pseudospectral solutions of the Boltzmann equation. Radiative transfer in astrophysics and atmospheric science, and applications to space physics are discussed. The relaxation of initial non-equilibrium distributions to equilibrium for several different systems is studied with the Boltzmann and Fokker-Planck equations. The eigenvalue spectra of the linear operators in the Boltzmann, Fokker-Planck and Schrödinger equations are studied with spectral and pseudospectral methods based on non-classical orthogonal polynomials. The numerical methods referred to as the Discrete Ordinate Method, Differential Quadrature, the Quadrature Discretization Method, the Discrete Variable Representation, the Lagrange Mesh Method, and others are discussed and compared. MATLAB codes are provided for most of the numerical results reported in the book - see Link under 'Additional Information' on the the right-hand column.

Information Theory and Quantum Physics

Information Theory and Quantum Physics
Author: Herbert S. Green
Publisher: Springer Science & Business Media
Total Pages: 248
Release: 2012-12-06
Genre: Science
ISBN: 364257162X

In this highly readable book, H.S. Green, a former student of Max Born and well known as an author in physics and in the philosophy of science, presents a timely analysis of theoretical physics and related fundamental problems.

An Introduction to Medical Physics

An Introduction to Medical Physics
Author: Muhammad Maqbool
Publisher: Springer
Total Pages: 422
Release: 2017-11-11
Genre: Science
ISBN: 3319615408

This book begins with the basic terms and definitions and takes a student, step by step, through all areas of medical physics. The book covers radiation therapy, diagnostic radiology, dosimetry, radiation shielding, and nuclear medicine, all at a level suitable for undergraduates. This title not only describes the basics concepts of the field, but also emphasizes numerical and mathematical problems and examples. Students will find An Introduction to Medical Physics to be an indispensible resource in preparations for further graduate studies in the field.

Theory of Nonlinear Propagation of High Harmonics Generated in a Gaseous Medium

Theory of Nonlinear Propagation of High Harmonics Generated in a Gaseous Medium
Author: Cheng Jin
Publisher: Springer Science & Business Media
Total Pages: 169
Release: 2013-09-11
Genre: Science
ISBN: 3319016253

Theory of Nonlinear Propagation of High Harmonics Generated in a Gaseous Medium establishes the theoretical tools to study High-Order Harmonic Generation (HHG) by intense ultrafast infrared lasers in atoms and molecules. The macroscopic propagation of both laser and high-harmonic fields is taken into account by solving Maxwell's wave equations, while the single-atom or single-molecule response is treated with a quantitative rescattering theory by solving the time-dependent Schrödinger equation. This book demonstrates for the first time that observed experimental HHG spectra of atoms and molecules can be accurately reproduced theoretically when precise experimental conditions are known. The macroscopic HHG can be expressed as a product of a macroscopic wave packet and a photorecombination cross section, where the former depends on laser and experimental conditions while the latter is the property of target atoms or molecules. The factorization makes it possible to retrieve microscopically atomic or molecular structure information from the measured macroscopic HHG spectra. This book also investigates other important issues about HHG, such as contributions from multiple molecular orbitals, the minimum in the HHG spectrum, the spatial mode of laser beams, and the generation of an isolated attosecond pulse. Additionally, this book presents the photoelectron angular distribution of aligned molecules ionized by the HHG light.

Advances in Chemical Physics, Volume 163

Advances in Chemical Physics, Volume 163
Author: K. Birgitta Whaley
Publisher: John Wiley & Sons
Total Pages: 371
Release: 2018-03-26
Genre: Science
ISBN: 1119375053

The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics

Advances in Quantum Chemistry: Lowdin Volume

Advances in Quantum Chemistry: Lowdin Volume
Author:
Publisher: Academic Press
Total Pages: 408
Release: 2017-02-12
Genre: Science
ISBN: 0128104007

Advances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids. Celebrates Per-Olov Lowdin, who would have been 100 in 2016 Contains papers by many who use his ideas in theoretical chemistry and physics today

Attosecond Molecular Dynamics

Attosecond Molecular Dynamics
Author: Marc J J Vrakking
Publisher: Royal Society of Chemistry
Total Pages: 512
Release: 2018-08-31
Genre: Science
ISBN: 1788015134

Attosecond science is a new and rapidly developing research area in which molecular dynamics are studied at the timescale of a few attoseconds. Within the past decade, attosecond pump–probe spectroscopy has emerged as a powerful experimental technique that permits electron dynamics to be followed on their natural timescales. With the development of this technology, physical chemists have been able to observe and control molecular dynamics on attosecond timescales. From these observations it has been suggested that attosecond to few-femtosecond timescale charge migration may induce what has been called “post-Born-Oppenheimer dynamics”, where the nuclei respond to rapidly time-dependent force fields resulting from transient localization of the electrons. These real-time observations have spurred exciting new advances in the theoretical work to both explain and predict these novel dynamics. This book presents an overview of current theoretical work relevant to attosecond science written by theoreticians who are presently at the forefront of its development. It is a valuable reference work for anyone working in the field of attosecond science as well as those studying the subject.