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Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States

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Brouwer fixed-point theorem

Brouwer's fixed-point theorem is a fixed-point theorem in topology, named after L. E. J. (Bertus) Brouwer. It states that for any continuous function mapping a nonempty compact convex set to itself there is a point such that . The simplest forms of Brouwer's theorem are for continuous functions from a closed interval in the real numbers to itself or from a closed disk to itself. A more general form than the latter is for continuous functions from a nonempty convex compact subset of Euclidean space to itself.

Limit (mathematics)

In mathematics, a limit is the value that a function (or sequence) approaches as the input (or index) approaches some value. Limits are essential to calculus and mathematical analysis, and are used to define continuity, derivatives, and integrals. The concept of a limit of a sequence is further generalized to the concept of a limit of a topological net, and is closely related to and direct limit in . In formulas, a limit of a function is usually written as (although a few authors use "Lt" instead of "lim") and is read as "the limit of f of x as x approaches c equals L".

Basis (linear algebra)

In mathematics, a set B of vectors in a vector space V is called a basis (: bases) if every element of V may be written in a unique way as a finite linear combination of elements of B. The coefficients of this linear combination are referred to as components or coordinates of the vector with respect to B. The elements of a basis are called . Equivalently, a set B is a basis if its elements are linearly independent and every element of V is a linear combination of elements of B.

Orthonormal basis

In mathematics, particularly linear algebra, an orthonormal basis for an inner product space V with finite dimension is a basis for whose vectors are orthonormal, that is, they are all unit vectors and orthogonal to each other. For example, the standard basis for a Euclidean space is an orthonormal basis, where the relevant inner product is the dot product of vectors. The of the standard basis under a rotation or reflection (or any orthogonal transformation) is also orthonormal, and every orthonormal basis for arises in this fashion.

Fixed-point theorems in infinite-dimensional spaces

In mathematics, a number of fixed-point theorems in infinite-dimensional spaces generalise the Brouwer fixed-point theorem. They have applications, for example, to the proof of existence theorems for partial differential equations. The first result in the field was the Schauder fixed-point theorem, proved in 1930 by Juliusz Schauder (a previous result in a different vein, the Banach fixed-point theorem for contraction mappings in complete metric spaces was proved in 1922). Quite a number of further results followed.

Wave

In physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from equilibrium) of one or more quantities. Waves can be periodic, in which case those quantities oscillate repeatedly about an equilibrium (resting) value at some frequency. When the entire waveform moves in one direction, it is said to be a traveling wave; by contrast, a pair of superimposed periodic waves traveling in opposite directions makes a standing wave.

Density functional theory

Density-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.

Cantor set

In mathematics, the Cantor set is a set of points lying on a single line segment that has a number of unintuitive properties. It was discovered in 1874 by Henry John Stephen Smith and introduced by German mathematician Georg Cantor in 1883. Through consideration of this set, Cantor and others helped lay the foundations of modern point-set topology. The most common construction is the Cantor ternary set, built by removing the middle third of a line segment and then repeating the process with the remaining shorter segments.

Orthogonal basis

In 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.

Lower limit topology

In mathematics, the lower limit topology or right half-open interval topology is a topology defined on the set of real numbers; it is different from the standard topology on (generated by the open intervals) and has a number of interesting properties. It is the topology generated by the basis of all half-open intervals [a,b), where a and b are real numbers. The resulting topological space is called the Sorgenfrey line after Robert Sorgenfrey or the arrow and is sometimes written .