Schrödinger equationThe Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. The equation is named after Erwin Schrödinger, who postulated the equation in 1925 and published it in 1926, forming the basis for the work that resulted in his Nobel Prize in Physics in 1933. Conceptually, the Schrödinger equation is the quantum counterpart of Newton's second law in classical mechanics.
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.
Vector spaceIn mathematics and physics, a vector space (also called a linear space) is a set whose elements, often called vectors, may be added together and multiplied ("scaled") by numbers called scalars. Scalars are often real numbers, but can be complex numbers or, more generally, elements of any field. The operations of vector addition and scalar multiplication must satisfy certain requirements, called vector axioms. The terms real vector space and complex vector space are often used to specify the nature of the scalars: real coordinate space or complex coordinate space.
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.
Mathematical formulation of quantum mechanicsThe mathematical formulations of quantum mechanics are those mathematical formalisms that permit a rigorous description of quantum mechanics. This mathematical formalism uses mainly a part of functional analysis, especially Hilbert spaces, which are a kind of linear space. Such are distinguished from mathematical formalisms for physics theories developed prior to the early 1900s by the use of abstract mathematical structures, such as infinite-dimensional Hilbert spaces (L2 space mainly), and operators on these spaces.
Topological vector spaceIn mathematics, a topological vector space (also called a linear topological space and commonly abbreviated TVS or t.v.s.) is one of the basic structures investigated in functional analysis. A topological vector space is a vector space that is also a topological space with the property that the vector space operations (vector addition and scalar multiplication) are also continuous functions. Such a topology is called a and every topological vector space has a uniform topological structure, allowing a notion of uniform convergence and completeness.
Normed vector spaceIn mathematics, a normed vector space or normed space is a vector space over the real or complex numbers on which a norm is defined. A norm is a generalization of the intuitive notion of "length" in the physical world. If is a vector space over , where is a field equal to or to , then a norm on is a map , typically denoted by , satisfying the following four axioms: Non-negativity: for every ,. Positive definiteness: for every , if and only if is the zero vector.
Linear algebraLinear algebra is the branch of mathematics concerning linear equations such as: linear maps such as: and their representations in vector spaces and through matrices. Linear algebra is central to almost all areas of mathematics. For instance, linear algebra is fundamental in modern presentations of geometry, including for defining basic objects such as lines, planes and rotations. Also, functional analysis, a branch of mathematical analysis, may be viewed as the application of linear algebra to spaces of functions.
Schrödinger pictureIn physics, the Schrödinger picture or Schrödinger representation is a formulation of quantum mechanics in which the state vectors evolve in time, but the operators (observables and others) are mostly constant with respect to time (an exception is the Hamiltonian which may change if the potential changes). This differs from the Heisenberg picture which keeps the states constant while the observables evolve in time, and from the interaction picture in which both the states and the observables evolve in time.
Eigendecomposition of a matrixIn linear algebra, eigendecomposition is the factorization of a matrix into a canonical form, whereby the matrix is represented in terms of its eigenvalues and eigenvectors. Only diagonalizable matrices can be factorized in this way. When the matrix being factorized is a normal or real symmetric matrix, the decomposition is called "spectral decomposition", derived from the spectral theorem. Eigenvalue, eigenvector and eigenspace A (nonzero) vector v of dimension N is an eigenvector of a square N × N matrix A if it satisfies a linear equation of the form for some scalar λ.
Graded vector spaceIn mathematics, a graded vector space is a vector space that has the extra structure of a grading or gradation, which is a decomposition of the vector space into a direct sum of vector subspaces, generally indexed by the integers. For "pure" vector spaces, the concept has been introduced in homological algebra, and it is widely used for graded algebras, which are graded vector spaces with additional structures. Let be the set of non-negative integers.
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.
Dimension (vector space)In mathematics, the dimension of a vector space V is the cardinality (i.e., the number of vectors) of a basis of V over its base field. It is sometimes called Hamel dimension (after Georg Hamel) or algebraic dimension to distinguish it from other types of dimension. For every vector space there exists a basis, and all bases of a vector space have equal cardinality; as a result, the dimension of a vector space is uniquely defined. We say is if the dimension of is finite, and if its dimension is infinite.
Interpretations of quantum mechanicsAn interpretation of quantum mechanics is an attempt to explain how the mathematical theory of quantum mechanics might correspond to experienced reality. Although quantum mechanics has held up to rigorous and extremely precise tests in an extraordinarily broad range of experiments, there exist a number of contending schools of thought over their interpretation. These views on interpretation differ on such fundamental questions as whether quantum mechanics is deterministic or stochastic, local or non-local, which elements of quantum mechanics can be considered real, and what the nature of measurement is, among other matters.
Dirac equationIn particle physics, the Dirac equation is a relativistic wave equation derived by British physicist Paul Dirac in 1928. In its free form, or including electromagnetic interactions, it describes all spin- massive particles, called "Dirac particles", such as electrons and quarks for which parity is a symmetry. It is consistent with both the principles of quantum mechanics and the theory of special relativity, and was the first theory to account fully for special relativity in the context of quantum mechanics.
Bra–ket notationBra–ket notation, also called Dirac notation, is a notation for linear algebra and linear operators on complex vector spaces together with their dual space both in the finite-dimensional and infinite-dimensional case. It is specifically designed to ease the types of calculations that frequently come up in quantum mechanics. Its use in quantum mechanics is quite widespread. The name comes from the English word "Bracket". Paul Dirac created Bra-ket notation in 1939 to make it easier to write quantum mechanical equations.
Ordered vector spaceIn mathematics, an ordered vector space or partially ordered vector space is a vector space equipped with a partial order that is compatible with the vector space operations. Given a vector space over the real numbers and a preorder on the set the pair is called a preordered vector space and we say that the preorder is compatible with the vector space structure of and call a vector preorder on if for all and with the following two axioms are satisfied implies implies If is a partial order compatible with the vector space structure of then is called an ordered vector space and is called a vector partial order on The two axioms imply that translations and positive homotheties are automorphisms of the order structure and the mapping is an isomorphism to the dual order structure.
Numerical linear algebraNumerical linear algebra, sometimes called applied linear algebra, is the study of how matrix operations can be used to create computer algorithms which efficiently and accurately provide approximate answers to questions in continuous mathematics. It is a subfield of numerical analysis, and a type of linear algebra. Computers use floating-point arithmetic and cannot exactly represent irrational data, so when a computer algorithm is applied to a matrix of data, it can sometimes increase the difference between a number stored in the computer and the true number that it is an approximation of.
Quantum mechanicsQuantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales.
Complete topological vector spaceIn functional analysis and related areas of mathematics, a complete topological vector space is a topological vector space (TVS) with the property that whenever points get progressively closer to each other, then there exists some point towards which they all get closer. The notion of "points that get progressively closer" is made rigorous by or , which are generalizations of , while "point towards which they all get closer" means that this Cauchy net or filter converges to The notion of completeness for TVSs uses the theory of uniform spaces as a framework to generalize the notion of completeness for metric spaces.
