Gröbner basisIn mathematics, and more specifically in computer algebra, computational algebraic geometry, and computational commutative algebra, a Gröbner basis is a particular kind of generating set of an ideal in a polynomial ring K[x1, ..., xn] over a field K. A Gröbner basis allows many important properties of the ideal and the associated algebraic variety to be deduced easily, such as the dimension and the number of zeros when it is finite.
DensityDensity (volumetric mass density or specific mass) is the substance's mass per unit of volume. The symbol most often used for density is ρ (the lower case Greek letter rho), although the Latin letter D can also be used. Mathematically, density is defined as mass divided by volume: where ρ is the density, m is the mass, and V is the volume. In some cases (for instance, in the United States oil and gas industry), density is loosely defined as its weight per unit volume, although this is scientifically inaccurate – this quantity is more specifically called specific weight.
Eigenvalues and eigenvectorsIn linear algebra, an eigenvector (ˈaɪgənˌvɛktər) or characteristic vector of a linear transformation is a nonzero vector that changes at most by a constant factor when that linear transformation is applied to it. The corresponding eigenvalue, often represented by , is the multiplying factor. Geometrically, a transformation matrix rotates, stretches, or shears the vectors it acts upon. The eigenvectors for a linear transformation matrix are the set of vectors that are only stretched, with no rotation or shear.
Orthogonal basisIn mathematics, particularly linear algebra, an orthogonal basis for an inner product space is a basis for whose vectors are mutually orthogonal. If the vectors of an orthogonal basis are normalized, the resulting basis is an orthonormal basis. Any orthogonal basis can be used to define a system of orthogonal coordinates Orthogonal (not necessarily orthonormal) bases are important due to their appearance from curvilinear orthogonal coordinates in Euclidean spaces, as well as in Riemannian and pseudo-Riemannian manifolds.
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.
Tensor product of modulesIn mathematics, the tensor product of modules is a construction that allows arguments about bilinear maps (e.g. multiplication) to be carried out in terms of linear maps. The module construction is analogous to the construction of the tensor product of vector spaces, but can be carried out for a pair of modules over a commutative ring resulting in a third module, and also for a pair of a right-module and a left-module over any ring, with result an abelian group.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
Tensor product of algebrasIn mathematics, the tensor product of two algebras over a commutative ring R is also an R-algebra. This gives the tensor product of algebras. When the ring is a field, the most common application of such products is to describe the product of algebra representations. Let R be a commutative ring and let A and B be R-algebras. Since A and B may both be regarded as R-modules, their tensor product is also an R-module. The tensor product can be given the structure of a ring by defining the product on elements of the form a ⊗ b by and then extending by linearity to all of A ⊗R B.
Relativistic quantum mechanicsIn physics, relativistic quantum mechanics (RQM) is any Poincaré covariant formulation of quantum mechanics (QM). This theory is applicable to massive particles propagating at all velocities up to those comparable to the speed of light c, and can accommodate massless particles. The theory has application in high energy physics, particle physics and accelerator physics, as well as atomic physics, chemistry and condensed matter physics.
Angular momentumIn physics, angular momentum (sometimes called moment of momentum or rotational momentum) is the rotational analog of linear momentum. It is an important physical quantity because it is a conserved quantity – the total angular momentum of a closed system remains constant. Angular momentum has both a direction and a magnitude, and both are conserved. Bicycles and motorcycles, flying discs, rifled bullets, and gyroscopes owe their useful properties to conservation of angular momentum.
