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Continuous-time Quantum Monte Carlo
In computational solid state physics, Continuous-time quantum Monte Carlo (CT-QMC) is a family of stochastic algorithms for solving the Anderson impurity model at finite temperature. These methods first expand the full partition function as a series of Feynman diagrams, employ Wick's theorem to group diagrams into determinants, and finally use Markov chain Monte Carlo to stochastically sum up the resulting series. The attribute ''continuous-time'' was introduced to distinguish the method from the then-predominant Hirsch–Fye quantum Monte Carlo method, which relies on a Suzuki–Trotter discretisation of the imaginary time axis. If the sign problem is absent, the method can also be used to solve lattice models such as the Hubbard model at half filling. To distinguish it from other Monte Carlo methods for such systems that also work in continuous time, the method is then usually referred to as Diagrammatic determinantal quantum Monte Carlo (DDQMC or DDMC). Partition function ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Solid-state Physics
Solid-state physics is the study of rigid matter, or solids, through methods such as quantum mechanics, crystallography, electromagnetism, and metallurgy. It is the largest branch of condensed matter physics. Solid-state physics studies how the large-scale properties of solid materials result from their atomic-scale properties. Thus, solid-state physics forms a theoretical basis of materials science. It also has direct applications, for example in the technology of transistors and semiconductors. Background Solid materials are formed from densely packed atoms, which interact intensely. These interactions produce the mechanical (e.g. hardness and Elasticity (physics), elasticity), Heat conduction, thermal, Electrical conduction, electrical, Magnetism, magnetic and Crystal optics, optical properties of solids. Depending on the material involved and the conditions in which it was formed, the atoms may be arranged in a regular, geometric pattern (crystal, crystalline solids, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hamiltonian (quantum Mechanics)
Hamiltonian may refer to: * Hamiltonian mechanics, a function that represents the total energy of a system * Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system ** Dyall Hamiltonian, a modified Hamiltonian with two-electron nature ** Molecular Hamiltonian, the Hamiltonian operator representing the energy of the electrons and nuclei in a molecule * Hamiltonian (control theory), a function used to solve a problem of optimal control for a dynamical system * Hamiltonian path, a path in a graph that visits each vertex exactly once * Hamiltonian group, a non-abelian group the subgroups of which are all normal * Hamiltonian economic program, the economic policies advocated by Alexander Hamilton, the first United States Secretary of the Treasury See also * Alexander Hamilton (1755 or 1757–1804), American statesman and one of the Founding Fathers of the US * Hamilton (other) Hamilton may refer to: People * Hamilton (name), a common ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dynamical Mean Field Theory
Dynamical mean-field theory (DMFT) is a method to determine the electronic structure of strongly correlated materials. In such materials, the approximation of independent electrons, which is used in density functional theory and usual band structure calculations, breaks down. Dynamical mean-field theory, a non-perturbative treatment of local interactions between electrons, bridges the gap between the nearly free electron gas limit and the atomic limit of condensed-matter physics. DMFT consists in mapping a many-body lattice problem to a many-body ''local'' problem, called an impurity model. While the lattice problem is in general intractable, the impurity model is usually solvable through various schemes. The mapping in itself does not constitute an approximation. The only approximation made in ordinary DMFT schemes is to assume the lattice self-energy to be a momentum-independent (local) quantity. This approximation becomes exact in the limit of lattices with an infinite coordina ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Monte Carlo
Quantum Monte Carlo encompasses a large family of computational methods whose common aim is the study of complex quantum systems. One of the major goals of these approaches is to provide a reliable solution (or an accurate approximation) of the quantum many-body problem. The diverse flavors of quantum Monte Carlo approaches all share the common use of the Monte Carlo method to handle the multi-dimensional integrals that arise in the different formulations of the many-body problem. Quantum Monte Carlo methods allow for a direct treatment and description of complex many-body effects encoded in the wave function, going beyond mean-field theory. In particular, there exist numerically exact and polynomially-scaling algorithms to exactly study static properties of boson systems without geometrical frustration. For fermions, there exist very good approximations to their static properties and numerically exact exponentially scaling quantum Monte Carlo algorithms, but none that are b ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Metropolis–Hastings Algorithm
In statistics and statistical physics, the Metropolis–Hastings algorithm is a Markov chain Monte Carlo (MCMC) method for obtaining a sequence of random samples from a probability distribution from which direct sampling is difficult. This sequence can be used to approximate the distribution (e.g. to generate a histogram) or to compute an integral (e.g. an expected value). Metropolis–Hastings and other MCMC algorithms are generally used for sampling from multi-dimensional distributions, especially when the number of dimensions is high. For single-dimensional distributions, there are usually other methods (e.g. adaptive rejection sampling) that can directly return independent samples from the distribution, and these are free from the problem of autocorrelated samples that is inherent in MCMC methods. History The algorithm was named after Nicholas Metropolis and W.K. Hastings. Metropolis was the first author to appear on the list of authors of the 1953 article ''Equation of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Monte Carlo Method
Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is to use randomness to solve problems that might be deterministic in principle. They are often used in physical and mathematical problems and are most useful when it is difficult or impossible to use other approaches. Monte Carlo methods are mainly used in three problem classes: optimization, numerical integration, and generating draws from a probability distribution. In physics-related problems, Monte Carlo methods are useful for simulating systems with many coupled degrees of freedom, such as fluids, disordered materials, strongly coupled solids, and cellular structures (see cellular Potts model, interacting particle systems, McKean–Vlasov processes, kinetic models of gases). Other examples include modeling phenomena with significant uncertainty in inputs such as the calculation of ris ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Renormalisation
Renormalization is a collection of techniques in quantum field theory, the statistical mechanics of fields, and the theory of self-similarity, self-similar geometric structures, that are used to treat infinity, infinities arising in calculated quantities by altering values of these quantities to compensate for effects of their self-interactions. But even if no infinities arose in One-loop Feynman diagram, loop diagrams in quantum field theory, it could be shown that it would be necessary to renormalize the mass and fields appearing in the original Lagrangian (field theory), Lagrangian. For example, an electron theory may begin by postulating an electron with an initial mass and charge. In quantum field theory a cloud of virtual particles, such as photons, positrons, and others surrounds and interacts with the initial electron. Accounting for the interactions of the surrounding particles (e.g. collisions at different energies) shows that the electron-system behaves as if it had ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Regularization (physics)
In physics, especially quantum field theory, regularization is a method of modifying observables which have singularities in order to make them finite by the introduction of a suitable parameter called the regulator. The regulator, also known as a "cutoff", models our lack of knowledge about physics at unobserved scales (e.g. scales of small size or large energy levels). It compensates for (and requires) the possibility that "new physics" may be discovered at those scales which the present theory is unable to model, while enabling the current theory to give accurate predictions as an "effective theory" within its intended scale of use. It is distinct from renormalization, another technique to control infinities without assuming new physics, by adjusting for self-interaction feedback. Regularization was for many decades controversial even amongst its inventors, as it combines physical and epistemological claims into the same equations. However, it is now well understood and ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Time Ordering
In theoretical physics, path-ordering is the procedure (or a meta-operator \mathcal P) that orders a product of operators according to the value of a chosen parameter: :\mathcal P \left\ \equiv O_(\sigma_) O_(\sigma_) \cdots O_(\sigma_). Here ''p'' is a permutation that orders the parameters by value: :p : \ \to \ :\sigma_ \leq \sigma_ \leq \cdots \leq \sigma_. For example: :\mathcal P \left\ = O_4(1) O_2(2) O_3(3) O_1(4) . Examples If an operator is not simply expressed as a product, but as a function of another operator, we must first perform a Taylor expansion of this function. This is the case of the Wilson loop, which is defined as a path- ordered exponential to guarantee that the Wilson loop encodes the holonomy of the gauge connection. The parameter ''σ'' that determines the ordering is a parameter describing the contour, and because the contour is closed, the Wilson loop must be defined as a trace in order to be gauge-invariant. Time ordering In quan ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Inverse Temperature
In statistical thermodynamics, thermodynamic beta, also known as coldness, is the reciprocal of the thermodynamic temperature of a system:\beta = \frac (where is the temperature and is Boltzmann constant).J. Meixner (1975) "Coldness and Temperature", ''Archive for Rational Mechanics and Analysis'' 57:3, 281-29abstract It was originally introduced in 1971 (as "coldness function") by , one of the proponents of the rational thermodynamics school of thought, based on earlier proposals for a "reciprocal temperature" function.Day, W.A. and Gurtin, Morton E. (1969) "On the symmetry of the conductivity tensor and other restrictions in the nonlinear theory of heat conduction", ''Archive for Rational Mechanics and Analysis'' 33:1, 26-32 (Springer-Verlag)abstractJ. Castle, W. Emmenish, R. Henkes, R. Miller, and J. Rayne (1965) Science by Degrees: ''Temperature from Zero to Zero'' (Westinghouse Search Book Series, Walker and Company, New York). Thermodynamic beta has units reciprocal to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dyson Series
In scattering theory, a part of mathematical physics, the Dyson series, formulated by Freeman Dyson, is a perturbative expansion of the time evolution operator in the interaction picture. Each term can be represented by a sum of Feynman diagrams. This series diverges asymptotically, but in quantum electrodynamics (QED) at the second order the difference from experimental data is in the order of 10−10. This close agreement holds because the coupling constant (also known as the fine-structure constant) of QED is much less than 1. 10^-5, so how does it follow that second order approximation in alpha is good to 10^-10? --> Notice that in this article Planck units are used, so that ''ħ'' = 1 (where ''ħ'' is the reduced Planck constant). The Dyson operator Suppose that we have a Hamiltonian , which we split into a ''free'' part and an ''interacting part'' , i.e. . We will work in the interaction picture here, that is, :V_(t) = \mathrm^ V_(t) \mathrm^, where H ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Interaction Picture
In quantum mechanics, the interaction picture (also known as the Dirac picture after Paul Dirac) is an intermediate representation between the Schrödinger picture and the Heisenberg picture. Whereas in the other two pictures either the state vector or the operators carry time dependence, in the interaction picture both carry part of the time dependence of observables. The interaction picture is useful in dealing with changes to the wave functions and observables due to interactions. Most field-theoretical calculations use the interaction representation because they construct the solution to the many-body Schrödinger equation as the solution to the free-particle problem plus some unknown interaction parts. Equations that include operators acting at different times, which hold in the interaction picture, don't necessarily hold in the Schrödinger or the Heisenberg picture. This is because time-dependent unitary transformations relate operators in one picture to the analogous op ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
