Ultraviolet divergenceIn physics, an ultraviolet divergence or UV divergence is a situation in which an integral, for example a Feynman diagram, diverges because of contributions of objects with unbounded energy, or, equivalently, because of physical phenomena at infinitesimal distances. Since an infinite result is unphysical, ultraviolet divergences often require special treatment to remove unphysical effects inherent in the perturbative formalisms. In particular, UV divergences can often be removed by regularization and renormalization.
SuperconductivitySuperconductivity is a set of physical properties observed in certain materials where electrical resistance vanishes and magnetic fields are expelled from the material. Any material exhibiting these properties is a superconductor. Unlike an ordinary metallic conductor, whose resistance decreases gradually as its temperature is lowered, even down to near absolute zero, a superconductor has a characteristic critical temperature below which the resistance drops abruptly to zero.
Charge densityIn electromagnetism, charge density is the amount of electric charge per unit length, surface area, or volume. Volume charge density (symbolized by the Greek letter ρ) is the quantity of charge per unit volume, measured in the SI system in coulombs per cubic meter (C⋅m−3), at any point in a volume. Surface charge density (σ) is the quantity of charge per unit area, measured in coulombs per square meter (C⋅m−2), at any point on a surface charge distribution on a two dimensional surface.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
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.
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.
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.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
RenormalizationRenormalization is a collection of techniques in quantum field theory, statistical field theory, and the theory of self-similar geometric structures, that are used to treat 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 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.
Theoretical physicsTheoretical physics is a branch of physics that employs mathematical models and abstractions of physical objects and systems to rationalize, explain and predict natural phenomena. This is in contrast to experimental physics, which uses experimental tools to probe these phenomena. The advancement of science generally depends on the interplay between experimental studies and theory. In some cases, theoretical physics adheres to standards of mathematical rigour while giving little weight to experiments and observations.
