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Debye–Waller Factor
The Debye–Waller factor (DWF), named after Peter Debye and Ivar Waller, is used in condensed matter physics to describe the attenuation of x-ray scattering or coherent neutron scattering caused by thermal motion. It is also called the B factor, atomic B factor, or temperature factor. Often, "Debye–Waller factor" is used as a generic term that comprises the Lamb–Mössbauer factor of incoherent neutron scattering and Mössbauer spectroscopy. The DWF depends on the scattering vector q. For a given q, DWF(q) gives the fraction of elastic scattering; 1 – DWF(q) correspondingly gives the fraction of inelastic scattering. (Strictly speaking, this probability interpretation is not true in general.) In diffraction studies, only the elastic scattering is useful; in crystals, it gives rise to distinct Bragg reflection peaks. Inelastic scattering events are undesirable as they cause a diffuse background — unless the energies of scattered particles are analysed, in which case they c ...
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Peter Debye
Peter Joseph William Debye (; ; March 24, 1884 – November 2, 1966) was a Dutch-American physicist and physical chemist, and Nobel laureate in Chemistry. Biography Early life Born Petrus Josephus Wilhelmus Debije in Maastricht, Netherlands, Debye enrolled in the Aachen University of Technology in 1901. In 1905, he completed his first degree in electrical engineering. He published his first paper, a mathematically elegant solution of a problem involving eddy currents, in 1907. At Aachen, he studied under the theoretical physicist Arnold Sommerfeld, who later claimed that his most important discovery was Peter Debye. In 1906, Sommerfeld received an appointment at Munich, Bavaria, and took Debye with him as his assistant. Debye got his Ph.D. with a dissertation on radiation pressure in 1908. In 1910, he derived the Planck radiation formula using a method which Max Planck agreed was simpler than his own. In 1911, when Albert Einstein took an appointment as a professor at Prague ...
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Mean Squared Displacement
In statistical mechanics, the mean squared displacement (MSD, also mean square displacement, average squared displacement, or mean square fluctuation) is a measure of the deviation of the position of a particle with respect to a reference position over time. It is the most common measure of the spatial extent of random motion, and can be thought of as measuring the portion of the system "explored" by the random walker. In the realm of biophysics and environmental engineering, the Mean Squared Displacement is measured over time to determine if a particle is spreading slowly due to diffusion, or if an advective force is also contributing. Another relevant concept, the variance-related diameter (VRD, which is twice the square root of MSD), is also used in studying the transportation and mixing phenomena in the realm of environmental engineering. It prominently appears in the Debye–Waller factor (describing vibrations within the solid state) and in the Langevin equation (describin ...
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Poisson Summation Formula
In mathematics, the Poisson summation formula is an equation that relates the Fourier series coefficients of the periodic summation of a function to values of the function's continuous Fourier transform. Consequently, the periodic summation of a function is completely defined by discrete samples of the original function's Fourier transform. And conversely, the periodic summation of a function's Fourier transform is completely defined by discrete samples of the original function. The Poisson summation formula was discovered by Siméon Denis Poisson and is sometimes called Poisson resummation. Forms of the equation Consider an aperiodic function s(x) with Fourier transform S(f) \triangleq \int_^ s(x)\ e^\, dx, alternatively designated by \hat s(f) and \mathcal\(f). The basic Poisson summation formula is: Also consider periodic functions, where parameters T>0 and P>0 are in the same units as x: :s_(x) \triangleq \sum_^ s(x + nP) \quad \text \quad S_(f) \triangleq \sum_^ S(f ...
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Stationary State
A stationary state is a quantum state with all observables independent of time. It is an eigenvector of the energy operator (instead of a quantum superposition of different energies). It is also called energy eigenvector, energy eigenstate, energy eigenfunction, or energy eigenket. It is very similar to the concept of atomic orbital and molecular orbital in chemistry, with some slight differences explained below. Introduction A stationary state is called ''stationary'' because the system remains in the same state as time elapses, in every observable way. For a single-particle Hamiltonian, this means that the particle has a constant probability distribution for its position, its velocity, its spin, etc. (This is true assuming the particle's environment is also static, i.e. the Hamiltonian is unchanging in time.) The wavefunction itself is not stationary: It continually changes its overall complex phase factor, so as to form a standing wave. The oscillation frequency of the ...
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Fermi's Golden Rule
In quantum physics, Fermi's golden rule is a formula that describes the transition rate (the probability of a transition per unit time) from one energy eigenstate of a quantum system to a group of energy eigenstates in a continuum, as a result of a weak perturbation. This transition rate is effectively independent of time (so long as the strength of the perturbation is independent of time) and is proportional to the strength of the coupling between the initial and final states of the system (described by the square of the matrix element of the perturbation) as well as the density of states. It is also applicable when the final state is discrete, i.e. it is not part of a continuum, if there is some decoherence in the process, like relaxation or collision of the atoms, or like noise in the perturbation, in which case the density of states is replaced by the reciprocal of the decoherence bandwidth. General Although the rule is named after Enrico Fermi, most of the work leading to it ...
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Crystal Momentum
In solid-state physics crystal momentum or quasimomentum is a momentum-like vector associated with electrons in a crystal lattice. It is defined by the associated wave vectors \mathbf of this lattice, according to :_ \equiv \hbar (where \hbar is the reduced Planck's constant). Frequently, crystal momentum is conserved like mechanical momentum, making it useful to physicists and materials scientists as an analytical tool. Lattice symmetry origins A common method of modeling crystal structure and behavior is to view electrons as quantum mechanical particles traveling through a fixed infinite periodic potential V(x) such that :V(+)=V(), where \mathbf is an arbitrary lattice vector. Such a model is sensible because crystal ions that form the lattice structure are typically on the order of tens of thousands of times more massive than electrons, making it safe to replace them with a fixed potential structure, and the macroscopic dimensions of a crystal are typically far greater t ...
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Modern Quantum Mechanics
''Modern Quantum Mechanics'', often called ''Sakurai'' or ''Sakurai and Napolitano'', is a standard graduate-level quantum mechanics textbook written originally by J. J. Sakurai and edited by San Fu Tuan in 1985, with later editions coauthored by Jim Napolitano. Sakurai died in 1982 before he could finish the textbook and both the first edition of the book, published in 1985 by Benjamin Cummings, and the revised edition of 1994, published by Addison-Wesley, were edited and completed by Tuan posthumously. The book was updated by Napolitano and released two later editions. The second edition was initially published by Addison-Wesley in 2010 and rereleased as an eBook by Cambridge University Press, who released a third edition in 2020. Table of Contents (3rd edition) * Prefaces * Chapter 1: Fundamental Concepts * Chapter 2: Quantum Dynamics * Chapter 3: Theory of Angular Momentum * Chapter 4: Symmetry in Quantum Mechanics * Chapter 5: Approximation Methods * Chapter 6: Scattering ...
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External Links
An internal link is a type of hyperlink on a web page to another page or resource, such as an image or document, on the same website or domain. Hyperlinks are considered either "external" or "internal" depending on their target or destination. Generally, a link to a page outside the same domain or website is considered external, whereas one that points at another section of the same web page or to another page of the same website or domain is considered internal. These definitions become clouded, however, when the same organization operates multiple domains functioning as a single web experience, e.g. when a secure commerce website is used for purchasing things displayed on a non-secure website. In these cases, links that are "external" by the above definition can conceivably be classified as "internal" for some purposes. Ultimately, an internal link points to a web page or resource in the same root directory. Similarly, seemingly "internal" links are in fact "external" for ...
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Neutron
The neutron is a subatomic particle, symbol or , which has a neutral (not positive or negative) charge, and a mass slightly greater than that of a proton. Protons and neutrons constitute the nuclei of atoms. Since protons and neutrons behave similarly within the nucleus, and each has a mass of approximately one atomic mass unit, they are both referred to as nucleons. Their properties and interactions are described by nuclear physics. Protons and neutrons are not elementary particles; each is composed of three quarks. The chemical properties of an atom are mostly determined by the configuration of electrons that orbit the atom's heavy nucleus. The electron configuration is determined by the charge of the nucleus, which is determined by the number of protons, or atomic number. The number of neutrons is the neutron number. Neutrons do not affect the electron configuration, but the sum of atomic and neutron numbers is the mass of the nucleus. Atoms of a chemical element t ...
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X-ray
An X-ray, or, much less commonly, X-radiation, is a penetrating form of high-energy electromagnetic radiation. Most X-rays have a wavelength ranging from 10  picometers to 10  nanometers, corresponding to frequencies in the range 30  petahertz to 30  exahertz ( to ) and energies in the range 145  eV to 124 keV. X-ray wavelengths are shorter than those of UV rays and typically longer than those of gamma rays. In many languages, X-radiation is referred to as Röntgen radiation, after the German scientist Wilhelm Conrad Röntgen, who discovered it on November 8, 1895. He named it ''X-radiation'' to signify an unknown type of radiation.Novelline, Robert (1997). ''Squire's Fundamentals of Radiology''. Harvard University Press. 5th edition. . Spellings of ''X-ray(s)'' in English include the variants ''x-ray(s)'', ''xray(s)'', and ''X ray(s)''. The most familiar use of X-rays is checking for fractures (broken bones), but X-rays are also used in other ways. ...
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Crystal
A crystal or crystalline solid is a solid material whose constituents (such as atoms, molecules, or ions) are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. In addition, macroscopic single crystals are usually identifiable by their geometrical shape, consisting of flat faces with specific, characteristic orientations. The scientific study of crystals and crystal formation is known as crystallography. The process of crystal formation via mechanisms of crystal growth is called crystallization or solidification. The word ''crystal'' derives from the Ancient Greek word (), meaning both "ice" and "rock crystal", from (), "icy cold, frost". Examples of large crystals include snowflakes, diamonds, and table salt. Most inorganic solids are not crystals but polycrystals, i.e. many microscopic crystals fused together into a single solid. Polycrystals include most metals, rocks, ceramics, and ice. A third category of ...
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Protein Data Bank
The Protein Data Bank (PDB) is a database for the three-dimensional structural data of large biological molecules, such as proteins and nucleic acids. The data, typically obtained by X-ray crystallography, NMR spectroscopy, or, increasingly, cryo-electron microscopy, and submitted by biologists and biochemists from around the world, are freely accessible on the Internet via the websites of its member organisations (PDBe, PDBj, RCSB, and BMRB). The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB. The PDB is a key in areas of structural biology, such as structural genomics. Most major scientific journals and some funding agencies now require scientists to submit their structure data to the PDB. Many other databases use protein structures deposited in the PDB. For example, SCOP and CATH classify protein structures, while PDBsum provides a graphic overview of PDB entries using information from other sources, such as Gene ontology. History Two force ...
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