Numerical Quantum Dynamics

It is an indisputable fact that computational physics form part of the essential landscape of physical science and physical education. When writing such a book, one is faced with numerous decisions, e. g. : Which topics should be included? What should be assumed about the readers’ prior knowledge? How should balance be achieved between numerical theory and physical application? This book is not elementary. The reader should have a background in qu- tum physics and computing. On the other way the topics discussed are not addressed to the specialist. This work bridges hopefully the gap between - vanced students, graduates and researchers looking for computational ideas beyond their fence and the specialist working on a special topic. Many imp- tant topics and applications are not considered in this book. The selection is of course a personal one and by no way exhaustive and the material presented obviously reflects my own interest. What is Computational Physics? During the past two decades computational physics became the third fun- mental physical discipline. Like the ‘traditional partners’ experimental physics and theoretical physics, computational physics is not restricted to a special area, e. g. , atomic physics or solid state physics. Computational physics is a meth- ical ansatz useful in all subareas and not necessarily restricted to physics. Of course this methods are related to computational aspects, which means nume- cal and algebraic methods, but also the interpretation and visualization of huge amounts of data.

Introduces number operators with a focus on the relationship between quantum mechanics and social science Mathematics is increasingly applied to classical problems in finance, biology, economics, and elsewhere. Quantum Dynamics for Classical Systems describes how quantum tools—the number operator in particular—can be used to create dynamical systems in which the variables are operator-valued functions and whose results explain the presented model. The book presents mathematical results and their applications to concrete systems and discusses the methods used, results obtained, and techniques developed for the proofs of the results. The central ideas of number operators are illuminated while avoiding excessive technicalities that are unnecessary for understanding and learning the various mathematical applications. The presented dynamical systems address a variety of contexts and offer clear analyses and explanations of concluded results. Additional features in Quantum Dynamics for Classical Systems include: Applications across diverse fields including stock markets and population migration as well as a unique quantum perspective on these classes of models Illustrations of the use of creation and annihilation operators for classical problems Examples of the recent increase in research and literature on the many applications of quantum tools in applied mathematics Clarification on numerous misunderstandings and misnomers while shedding light on new approaches in the field Quantum Dynamics for Classical Systems is an ideal reference for researchers, professionals, and academics in applied mathematics, economics, physics, biology, and sociology. The book is also excellent for courses in dynamical systems, quantum mechanics, and mathematical models.

This is a rapidly developing field to which the author is a leading contributor New methods in quantum dynamics and computational techniques, with applications to interesting physical problems, are brought together in this book Useful to both students and researchers

Studying and using light or "photons" to image and then to control and transmit molecular information is among the most challenging and significant research fields to emerge in recent years. One of the fastest growing areas involves research in the temporal imaging of quantum phenomena, ranging from molecular dynamics in the femto (10-15s) time regime for atomic motion to the atto (10-18s) time scale of electron motion. In fact, the attosecond "revolution" is now recognized as one of the most important recent breakthroughs and innovations in the science of the 21st century. A major participant in the development of ultrafast femto and attosecond temporal imaging of molecular quantum phenomena has been theory and numerical simulation of the nonlinear, non-perturbative response of atoms and molecules to ultrashort laser pulses. Therefore, imaging quantum dynamics is a new frontier of science requiring advanced mathematical approaches for analyzing and solving spatial and temporal multidimensional partial differential equations such as Time-Dependent Schroedinger Equations (TDSE) and Time-Dependent Dirac equations (TDDEs for relativistic phenomena). These equations are also coupled to the photons in Maxwell's equations for collective propagation effects. Inversion of the experimental imaging data of quantum dynamics presents new mathematical challenges in the imaging of quantum wave coherences on subatomic (subnanometer) spatial dimensions and multiple timescales from atto to femto and even nanoseconds. In Quantum Dynamic Imaging: Theoretical and Numerical Methods, leading researchers discuss these exciting state-of-the-art developments and their implications for R&D in view of the promise of quantum dynamic imaging science as the essential tool for controlling matter at the molecular level.

Quantum dynamics of molecules poses a variety of computational challenges that are presently at the forefront of research efforts in numerical analysis in a number of application areas: high-dimensional partial differential equations, multiple scales, highly oscillatory solutions, and geometric structures such as symplecticity and reversibility that are favourably preserved in discretizations. This text addresses such problems in quantum mechanics from the viewpoint of numerical analysis, illustrating them to a large extent on intermediate models between the Schrodinger equation of full many-body quantum dynamics and the Newtonian equations of classical molecular dynamics. The fruitful interplay between quantum dynamics and numerical analysis is emphasized.

Studying and using light or "photons" to image and then to control and transmit molecular information is among the most challenging and significant research fields to emerge in recent years. One of the fastest growing areas involves research in the temporal imaging of quantum phenomena, ranging from molecular dynamics in the femto (10-15s) time regime for atomic motion to the atto (10-18s) time scale of electron motion. In fact, the attosecond "revolution" is now recognized as one of the most important recent breakthroughs and innovations in the science of the 21st century. A major participant in the development of ultrafast femto and attosecond temporal imaging of molecular quantum phenomena has been theory and numerical simulation of the nonlinear, non-perturbative response of atoms and molecules to ultrashort laser pulses. Therefore, imaging quantum dynamics is a new frontier of science requiring advanced mathematical approaches for analyzing and solving spatial and temporal multidimensional partial differential equations such as Time-Dependent Schroedinger Equations (TDSE) and Time-Dependent Dirac equations (TDDEs for relativistic phenomena). These equations are also coupled to the photons in Maxwell's equations for collective propagation effects. Inversion of the experimental imaging data of quantum dynamics presents new mathematical challenges in the imaging of quantum wave coherences on subatomic (subnanometer) spatial dimensions and multiple timescales from atto to femto and even nanoseconds. In Quantum Dynamic Imaging: Theoretical and Numerical Methods, leading researchers discuss these exciting state-of-the-art developments and their implications for R&D in view of the promise of quantum dynamic imaging science as the essential tool for controlling matter at the molecular level.

This graduate textbook introduces the com-putational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach. Contents How to propagate a wavefunction? Calculation of typical strong-field observables Time-dependent relativistic wave equations: Numerics of the Dirac and the Klein-Gordon equation Time-dependent density functional theory The multiconfiguration time-dependent Hartree-Fock method Time-dependent configuration interaction singles Strong-field approximation and quantum orbits Microscopic particle-in-cell approach

Includes 160 subroutines all of which can be used either as a standalone program or integrated with any other main program without any issues. Every parameter in the input, output and execution has been provided while keeping both beginner and advanced users in mind. The output of every program is explained thoroughly with detailed examples.