Hubbard modelThe 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.
Electronic band structureIn solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.
Transition metalIn chemistry, a transition metal (or transition element) is a chemical element in the d-block of the periodic table (groups 3 to 12), though the elements of group 12 (and less often group 3) are sometimes excluded. The lanthanide and actinide elements (the f-block) are called inner transition metals and are sometimes considered to be transition metals as well. Since they are metals, they are lustrous and have good electrical and thermal conductivity.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Post-transition metalThe metallic elements in the periodic table located between the transition metals to their left and the chemically weak nonmetallic metalloids to their right have received many names in the literature, such as post-transition metals, poor metals, other metals, p-block metals and chemically weak metals. The most common name, post-transition metals, is generally used in this article. Physically, these metals are soft (or brittle), have poor mechanical strength, and usually have melting points lower than those of the transition metals.
Mott insulatorMott insulators are a class of materials that are expected to conduct electricity according to conventional band theories, but turn out to be insulators (particularly at low temperatures). These insulators fail to be correctly described by band theories of solids due to their strong electron–electron interactions, which are not considered in conventional band theory. A Mott transition is a transition from a metal to an insulator, driven by the strong interactions between electrons.
Boundary currentBoundary currents are ocean currents with dynamics determined by the presence of a coastline, and fall into two distinct categories: western boundary currents and eastern boundary currents. Eastern boundary currents are relatively shallow, broad and slow-flowing. They are found on the eastern side of oceanic basins (adjacent to the western coasts of continents). Subtropical eastern boundary currents flow equatorward, transporting cold water from higher latitudes to lower latitudes; examples include the Benguela Current, the Canary Current, the Humboldt (Peru) Current, and the California Current.
Transition metal carbene complexA transition metal carbene complex is an organometallic compound featuring a divalent organic ligand. The divalent organic ligand coordinated to the metal center is called a carbene. Carbene complexes for almost all transition metals have been reported. Many methods for synthesizing them and reactions utilizing them have been reported. The term carbene ligand is a formalism since many are not derived from carbenes and almost none exhibit the reactivity characteristic of carbenes.
Numerical analysisNumerical analysis is the study of algorithms that use numerical approximation (as opposed to symbolic manipulations) for the problems of mathematical analysis (as distinguished from discrete mathematics). It is the study of numerical methods that attempt at finding approximate solutions of problems rather than the exact ones. Numerical analysis finds application in all fields of engineering and the physical sciences, and in the 21st century also the life and social sciences, medicine, business and even the arts.
Agulhas CurrentThe Agulhas Current (əˈɡʌləs) is the western boundary current of the southwest Indian Ocean. It flows south along the east coast of Africa from 27°S to 40°S. It is narrow, swift and strong. It is suggested that it is the largest western boundary current in the world ocean, with an estimated net transport of 70 sverdrups (70 million cubic metres per second), as western boundary currents at comparable latitudes transport less — Brazil Current (16.2 Sv), Gulf Stream (34 Sv), Kuroshio (42 Sv).
Ocean currentAn ocean current is a continuous, directed movement of seawater generated by a number of forces acting upon the water, including wind, the Coriolis effect, breaking waves, cabbeling, and temperature and salinity differences. Depth contours, shoreline configurations, and interactions with other currents influence a current's direction and strength. Ocean currents are primarily horizontal water movements. An ocean current flows for great distances and together they create the global conveyor belt, which plays a dominant role in determining the climate of many of Earth's regions.
Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
SemimetalA semimetal is a material with a very small overlap between the bottom of the conduction band and the top of the valence band. According to electronic band theory, solids can be classified as insulators, semiconductors, semimetals, or metals. In insulators and semiconductors the filled valence band is separated from an empty conduction band by a band gap. For insulators, the magnitude of the band gap is larger (e.g., > 4 eV) than that of a semiconductor (e.g., < 4 eV).
Numerical integrationIn analysis, numerical integration comprises a broad family of algorithms for calculating the numerical value of a definite integral, and by extension, the term is also sometimes used to describe the numerical solution of differential equations. This article focuses on calculation of definite integrals. The term numerical quadrature (often abbreviated to quadrature) is more or less a synonym for numerical integration, especially as applied to one-dimensional integrals.
Kuroshio CurrentThe Kuroshio Current, also known as the Black or Japan Current or the Black Stream, is a north-flowing, warm ocean current on the west side of the North Pacific Ocean basin. It was named for the deep blue appearance of its waters. Similar to the Gulf Stream in the North Atlantic, the Kuroshio is a powerful western boundary current that transports warm equatorial water poleward and forms the western limb of the North Pacific Subtropical Gyre. Off the East Coast of Japan, it merges with the Oyashio Current to form the North Pacific Current.
Electron densityElectron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron wavefunction which itself depends upon variables ( spatial and spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Numerical stabilityIn the mathematical subfield of numerical analysis, numerical stability is a generally desirable property of numerical algorithms. The precise definition of stability depends on the context. One is numerical linear algebra and the other is algorithms for solving ordinary and partial differential equations by discrete approximation. In numerical linear algebra, the principal concern is instabilities caused by proximity to singularities of various kinds, such as very small or nearly colliding eigenvalues.
Humboldt CurrentThe Humboldt Current is a cold, low-salinity ocean current that flows north along the western coast of South America. It is an eastern boundary current flowing in the direction of the equator, and extends offshore. The Humboldt Current is named after the German naturalist Alexander von Humboldt even though it was discovered by José de Acosta 250 years before Humboldt. In 1846, von Humboldt reported measurements of the cold-water current in his book Cosmos.
Orion molecular cloud complexThe Orion molecular cloud complex (or, simply, the Orion complex) is a star-forming region with stellar ages ranging up to 12 Myr. Two giant molecular clouds are a part of it, Orion A and Orion B. The stars currently forming within the complex are located within these clouds. A number of other somewhat older stars no longer associated with the molecular gas are also part of the complex, most notably the Orion's Belt (Orion OB1b), as well as the dispersed population north of it (Orion OB1a).
