As physical science advances, theoretical simulations become increasingly reflective of realistic systems, and experimental observations become more precise and refined. Thus, going beyond the Born–Oppenheimer approximation is inevitable. This book bases its discussion of condensed matter physics on the Schrödinger equation, considering both nuclear and electronic degrees of freedom. Particular attention is given to two types of phenomena: those, such as nuclear quantum effects, for which ...

This book highlights the fundamentals for understanding the essential problems and latest progresses in basic water science. Water is the most abundant, fundamental and important matter in nature. Arguably it is also the material that human beings study the most but misunderstand the most. Compared with the environmental science and engineering research activities on water resources, water pollution and water usage closely related to social problems at the macro level, basic scientific res...

This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including umbrella sampling, meta-dynamics, integrated tempering sampling, etc....

Nowadays, with the improved abilities of computers, molecular modeling has become a powerful technique in computational chemistry with ever-increasing practical interests. At the moment, using effective algorithms along with powerful processors enables us to simulate systems, including thousands of atoms up to several microseconds. However, finding a balance between the computational costs and reliable results still remains a challenge. Two general approaches help us to reveal the behavior...

This book covers both basic physics of ferromagnetism, such as magnetic moment, exchange coupling, magnetic anisotropy, and recent progress in advanced ferromagnetic materials. Special focus is placed on NdFeB permanent magnets and the materials studied in the field of spintronics (explaining the development of tunnel magnetoresistance effect through the so-called giant magnetoresistance effect).

This book addresses the control of electronic properties of carbon nanotubes. It presents thermodynamic calculations of the formation of impurities and defects in the interaction of nanotubes with hydrogen, oxygen, nitrogen and boron, based on theoretical models of the formation of defects in carbon nanotubes. It is shown that doping and adsorption lead to changes in the electronic structure of the tubes as well as to the appearance of impurity states in the HOMO-LUMO gap. The book present...

Nanodroplets, the basis of complex and advanced nanostructures such as quantum rings, quantum dots and quantum dot clusters for future electronic and optoelectronic materials and devices, have attracted the interdisciplinary interest of chemists, physicists and engineers. This book combines experimental and theoretical analyses of nanosized droplets which reveal many attractive properties. Coverage includes nanodroplet synthesis, structure, unique behaviors and their nanofabrication, inclu...

Topological insulators are insulating in the bulk, but process metallic states present around its boundary owing to the topological origin of the band structure. The metallic edge or surface states are immune to weak disorder or impurities, and robust against the deformation of the system geometry. This book, the first of its kind on topological insulators, presents a unified description of topological insulators from one to three dimensions based on the modified Dirac equation. A series o...

“French Nobel Laureate Claude Cohen-Tannoudji is second to none in his understanding of the modern theory and application of atom-photon interactions. He is also known for his lucid and accessible writing style … Advances in Atomic Physics is an impressive and wonderful-to-read reference text … Certainly researchers in the fields of atom-photon interactions and atom traps will want it as a reference on their bookshelves … A selection of chapters may be of benefit to students: the early cha...

Where were the amino acids, the molecules of life, created: perhaps in a lightning storm in the early Earth, or perhaps elsewhere in the cosmos? This book argues that at least some of them must have been produced in the cosmos, and that the fact that the Earthly amino acids have a specific handedness provides an important clue for that explanation. The book discusses several models that purport to explain the handedness, ultimately proposing a new explanation that involves cosmic processin...

Power generation from environmentally friendly sources has led to surging interest in thermoelectrics. There has been a move toward alternative thermoelectric materials with enhanced performance through materials and structures that utilize common and safer elements and alternative mechanistic approaches while increasing processing latitude and decreasing cost. This wide-ranging volume examines this progress and future prospects with the new technologies, ease of processing and cost as maj...

This monograph offers a comprehensive overview of diverse quantization phenomena in layered materials, covering current mainstream experimental and theoretical research studies, and presenting essential properties of layered materials along with a wealth of figures.This book illustrates commonly used synthesis methods of these 2D materials and compares the calculated results and experimental measurements, including novel features not yet reported. The book also discusses experiment...