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Density Matrix Renormalization Group
The density matrix renormalization group (DMRG) is a numerical variational technique devised to obtain the low-energy physics of quantum many-body systems with high accuracy. As a variational method, DMRG is an efficient algorithm that attempts to find the lowest-energy matrix product state wavefunction of a Hamiltonian. It was invented in 1992 by Steven R. White and it is nowadays the most efficient method for 1-dimensional systems. The idea behind DMRG The main problem of quantum many-body physics is the fact that the Hilbert space grows exponentially with size. In other words if one considers a lattice, with some Hilbert space of dimension d on each site of the lattice, then the total Hilbert space would have dimension d^, where N is the number of sites on the lattice. For example, a spin-1/2 chain of length ''L'' has 2''L'' degrees of freedom. The DMRG is an iterative, variational method that reduces effective degrees of freedom to those most important for a targe ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Variational Method (quantum Mechanics)
In quantum mechanics, the variational method is one way of finding approximations to the lowest energy eigenstate or ground state, and some excited states. This allows calculating approximate wavefunctions such as molecular orbitals. The basis for this method is the variational principle. The method consists of choosing a "trial wavefunction" depending on one or more parameters, and finding the values of these parameters for which the expectation value of the energy is the lowest possible. The wavefunction obtained by fixing the parameters to such values is then an approximation to the ground state wavefunction, and the expectation value of the energy in that state is an upper bound to the ground state energy. The Hartree–Fock method, Density matrix renormalization group, and Ritz method apply the variational method. Description Suppose we are given a Hilbert space and a Hermitian operator over it called the Hamiltonian H . Ignoring complications about continuous spectra, w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Heisenberg Model (quantum)
The quantum Heisenberg model, developed by Werner Heisenberg, is a statistical mechanical model used in the study of critical points and phase transitions of magnetic systems, in which the spins of the magnetic systems are treated quantum mechanically. It is related to the prototypical Ising model, where at each site of a lattice, a spin \sigma_i \in \ represents a microscopic magnetic dipole to which the magnetic moment is either up or down. Except the coupling between magnetic dipole moments, there is also a multipolar version of Heisenberg model called the multipolar exchange interaction. Overview For quantum mechanical reasons (see exchange interaction or ), the dominant coupling between two dipoles may cause nearest-neighbors to have lowest energy when they are ''aligned''. Under this assumption (so that magnetic interactions only occur between adjacent dipoles) and on a 1-dimensional periodic lattice, the Hamiltonian can be written in the form :\hat H = -J \sum_^ \sig ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nonequilibrium
Non-equilibrium thermodynamics is a branch of thermodynamics that deals with physical systems that are not in thermodynamic equilibrium but can be described in terms of macroscopic quantities (non-equilibrium state variables) that represent an extrapolation of the variables used to specify the system in thermodynamic equilibrium. Non-equilibrium thermodynamics is concerned with transport processes and with the rates of chemical reactions. Almost all systems found in nature are not in thermodynamic equilibrium, for they are changing or can be triggered to change over time, and are continuously and discontinuously subject to flux of matter and energy to and from other systems and to chemical reactions. Some systems and processes are, however, in a useful sense, near enough to thermodynamic equilibrium to allow description with useful accuracy by currently known non-equilibrium thermodynamics. Nevertheless, many natural systems and processes will always remain far beyond the scope o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Statistical Physics
Statistical physics is a branch of physics that evolved from a foundation of statistical mechanics, which uses methods of probability theory and statistics, and particularly the Mathematics, mathematical tools for dealing with large populations and approximations, in solving physical problems. It can describe a wide variety of fields with an inherently stochastic nature. Its applications include many problems in the fields of physics, biology, chemistry, and neuroscience. Its main purpose is to clarify the properties of matter in aggregate, in terms of physical laws governing atomic motion. Statistical mechanics develop the Phenomenology (particle physics), phenomenological results of thermodynamics from a probabilistic examination of the underlying microscopic systems. Historically, one of the first topics in physics where statistical methods were applied was the field of classical mechanics, which is concerned with the motion of particles or objects when subjected to a force. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dendrimers
Dendrimers are highly ordered, branched polymeric molecules. Synonymous terms for dendrimer include arborols and cascade molecules. Typically, dendrimers are symmetric about the core, and often adopt a spherical three-dimensional morphology. The word dendron is also encountered frequently. A dendron usually contains a single chemically addressable group called the focal point or core. The difference between dendrons and dendrimers is illustrated in the top figure, but the terms are typically encountered interchangeably. The first dendrimers were made by divergent synthesis approaches by Fritz Vögtle in 1978, R.G. Denkewalter at Allied Corporation in 1981, Donald Tomalia at Dow Chemical in 1983 and in 1985, and by George R. Newkome in 1985. In 1990 a convergent synthetic approach was introduced by Craig Hawker and Jean Fréchet. Dendrimer popularity then greatly increased, resulting in more than 5,000 scientific papers and patents by the year 2005. Properties Dendritic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tree Graph
In graph theory, a tree is an undirected graph in which any two Vertex (graph theory), vertices are connected by ''exactly one'' Path (graph theory), path, or equivalently a Connected graph, connected Cycle (graph theory), acyclic undirected graph. A forest is an undirected graph in which any two vertices are connected by ''at most one'' path, or equivalently an acyclic undirected graph, or equivalently a Disjoint union of graphs, disjoint union of trees. A polytreeSee . (or directed tree or oriented treeSee .See . or singly connected networkSee .) is a directed acyclic graph (DAG) whose underlying undirected graph is a tree. A polyforest (or directed forest or oriented forest) is a directed acyclic graph whose underlying undirected graph is a forest. The various kinds of data structures referred to as Tree (data structure), trees in computer science have underlying graphs that are trees in graph theory, although such data structures are generally rooted trees. A rooted tree may ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Wire
In mesoscopic physics, a quantum wire is an electrically conducting wire in which quantum effects influence the transport properties. Usually such effects appear in the dimension of nanometers, so they are also referred to as nanowires. Quantum effects If the diameter of a wire is sufficiently small, electrons will experience quantum confinement in the transverse direction. As a result, their transverse energy will be limited to a series of discrete values. One consequence of this quantization is that the classical formula for calculating the electrical resistance of a wire, : R = \rho \frac, is not valid for quantum wires (where \rho is the material's resistivity, l is the length, and A is the cross-sectional area of the wire). Instead, an exact calculation of the transverse energies of the confined electrons has to be performed to calculate a wire's resistance. Following from the quantization of electron energy, the electrical conductance (the inverse of the resistance) is fou ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Dots
Quantum dots (QDs) are semiconductor particles a few nanometres in size, having optical and electronic properties that differ from those of larger particles as a result of quantum mechanics. They are a central topic in nanotechnology. When the quantum dots are illuminated by UV light, an electron in the quantum dot can be excited to a state of higher energy. In the case of a semiconducting quantum dot, this process corresponds to the transition of an electron from the valence band to the conductance band. The excited electron can drop back into the valence band releasing its energy as light. This light emission ( photoluminescence) is illustrated in the figure on the right. The color of that light depends on the energy difference between the conductance band and the valence band, or the transition between discrete energy states when band structure is no longer a good definition in QDs. In the language of materials science, nanoscale semiconductor materials tightly confine eith ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Boson
In particle physics, a boson ( ) is a subatomic particle whose spin quantum number has an integer value (0,1,2 ...). Bosons form one of the two fundamental classes of subatomic particle, the other being fermions, which have odd half-integer spin (,, ...). Every observed subatomic particle is either a boson or a fermion. Bosons are named after physicist Satyendra Nath Bose. Some bosons are elementary particles and occupy a special role in particle physics unlike that of fermions, which are sometimes described as the constituents of "ordinary matter". Some elementary bosons (for example, gluons) act as force carriers, which give rise to forces between other particles, while one (the Higgs boson) gives rise to the phenomenon of mass. Other bosons, such as mesons, are composite particles made up of smaller constituents. Outside the realm of particle physics, superfluidity arises because composite bosons (bose particles), such as low temperature helium-4 atoms, follow Bose–E ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Kondo Effect
In physics, the Kondo effect describes the scattering of conduction electrons in a metal due to magnetic impurities, resulting in a characteristic change i.e. a minimum in electrical resistivity with temperature. The cause of the effect was first explained by Jun Kondo, who applied third-order perturbation theory to the problem to account for scattering of s-orbital conduction electrons off d-orbital electrons localized at impurities ( Kondo model). Kondo's calculation predicted that the scattering rate and the resulting part of the resistivity should increase logarithmically as the temperature approaches 0 K. Experiments in the 1960s by Myriam Sarachik at Bell Laboratories provided the first data that confirmed the Kondo effect. Extended to a lattice of ''magnetic impurities'', the Kondo effect likely explains the formation of ''heavy fermions'' and ''Kondo insulators'' in intermetallic compounds, especially those involving rare earth elements such as cerium, praseodymium, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hubbard Model
The Hubbard model is an approximate model used to describe the transition between conducting and insulating systems. It is particularly useful in solid-state physics. The model is named for John Hubbard. The Hubbard model states that each electron experiences competing forces: one pushes it to tunnel to neighboring atoms, while the other pushes it away from its neighbors. Its Hamiltonian thus has two terms: a kinetic term allowing for tunneling ("hopping") of particles between lattice sites and a potential term reflecting on-site interaction. The particles can either be fermions, as in Hubbard's original work, or bosons, in which case the model is referred to as the "Bose–Hubbard model". The Hubbard model is a useful approximation for particles in a periodic potential at sufficiently low temperatures, where all the particles may be assumed to be in the lowest Bloch band, and long-range interactions between the particles can be ignored. If interactions between particles at ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ising Model
The Ising model () (or Lenz-Ising model or Ising-Lenz model), named after the physicists Ernst Ising and Wilhelm Lenz, is a mathematical model of ferromagnetism in statistical mechanics. The model consists of discrete variables that represent magnetic dipole moments of atomic "spins" that can be in one of two states (+1 or −1). The spins are arranged in a graph, usually a lattice (where the local structure repeats periodically in all directions), allowing each spin to interact with its neighbors. Neighboring spins that agree have a lower energy than those that disagree; the system tends to the lowest energy but heat disturbs this tendency, thus creating the possibility of different structural phases. The model allows the identification of phase transitions as a simplified model of reality. The two-dimensional square-lattice Ising model is one of the simplest statistical models to show a phase transition. The Ising model was invented by the physicist , who gave it as a prob ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
