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.
Basis set (chemistry)In theoretical and computational chemistry, a basis set is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer. The use of basis sets is equivalent to the use of an approximate resolution of the identity: the orbitals are expanded within the basis set as a linear combination of the basis functions , where the expansion coefficients are given by .
Extended real number lineIn mathematics, the affinely extended real number system is obtained from the real number system by adding two infinity elements: and where the infinities are treated as actual numbers. It is useful in describing the algebra on infinities and the various limiting behaviors in calculus and mathematical analysis, especially in the theory of measure and integration. The affinely extended real number system is denoted or or It is the Dedekind–MacNeille completion of the real numbers.
Einstein–Podolsky–Rosen paradoxThe Einstein–Podolsky–Rosen (EPR) paradox is a thought experiment proposed by physicists Albert Einstein, Boris Podolsky and Nathan Rosen which argues that the description of physical reality provided by quantum mechanics is incomplete. In a 1935 paper titled "Can Quantum-Mechanical Description of Physical Reality be Considered Complete?", they argued for the existence of "elements of reality" that were not part of quantum theory, and speculated that it should be possible to construct a theory containing these hidden variables.
Relativistic quantum chemistryRelativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the heavier elements of the periodic table. A prominent example is an explanation for the color of gold: due to relativistic effects, it is not silvery like most other metals. The term relativistic effects was developed in light of the history of quantum mechanics. Initially, quantum mechanics was developed without considering the theory of relativity.
EigenfunctionIn mathematics, an eigenfunction of a linear operator D defined on some function space is any non-zero function in that space that, when acted upon by D, is only multiplied by some scaling factor called an eigenvalue. As an equation, this condition can be written as for some scalar eigenvalue The solutions to this equation may also be subject to boundary conditions that limit the allowable eigenvalues and eigenfunctions. An eigenfunction is a type of eigenvector.
Essential singularityIn complex analysis, an essential singularity of a function is a "severe" singularity near which the function exhibits odd behavior. The category essential singularity is a "left-over" or default group of isolated singularities that are especially unmanageable: by definition they fit into neither of the other two categories of singularity that may be dealt with in some manner – removable singularities and poles. In practice some include non-isolated singularities too; those do not have a residue.
