Hartree atomic unitsThe Hartree atomic units are a system of natural units of measurement which is especially convenient for calculations in atomic physics and related scientific fields, such as computational chemistry and atomic spectroscopy. They are named after the physicist Douglas Hartree. Atomic units are often abbreviated "a.u." or "au", not to be confused with the same abbreviation used also for astronomical units, arbitrary units, and absorbance units in other contexts.
ObservableIn physics, an observable is a physical property or physical quantity that can be measured. Examples include position and momentum. In systems governed by classical mechanics, it is a real-valued "function" on the set of all possible system states. In quantum physics, it is an operator, or gauge, where the property of the quantum state can be determined by some sequence of operations. For example, these operations might involve submitting the system to various electromagnetic fields and eventually reading a value.
Wave functionIn quantum physics, a wave function (or wavefunction), represented by the Greek letter Ψ, is a mathematical description of the quantum state of an isolated quantum system. In the Copenhagen interpretation of quantum mechanics, the wave function is a complex-valued probability amplitude; the probabilities for the possible results of the measurements made on a measured system can be derived from the wave function. The most common symbols for a wave function are the Greek letters ψ and Ψ (lower-case and capital psi, respectively).
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.
HartreeThe hartree (symbol: Eh or Ha), also known as the Hartree energy, is the unit of energy in the Hartree atomic units system, named after the British physicist Douglas Hartree. Its CODATA recommended value is = The hartree energy is approximately the electric potential energy of the hydrogen atom in its ground state and, by the virial theorem, approximately twice its ionization energy; the relationships are not exact because of the finite mass of the nucleus of the hydrogen atom and relativistic corrections.
Atomic massThe atomic mass (ma or m) is the mass of an atom. Although the SI unit of mass is the kilogram (symbol: kg), atomic mass is often expressed in the non-SI unit dalton (symbol: Da) – equivalently, unified atomic mass unit (u). 1 Da is defined as of the mass of a free carbon-12 atom at rest in its ground state. The protons and neutrons of the nucleus account for nearly all of the total mass of atoms, with the electrons and nuclear binding energy making minor contributions.
Dalton (unit)The dalton or unified atomic mass unit (symbols: Da or u) is a non-SI unit of mass defined as 1/12 of the mass of an unbound neutral atom of carbon-12 in its nuclear and electronic ground state and at rest. The atomic mass constant, denoted mu, is defined identically, giving mu = 1/12 m(^12C) = 1 Da. This unit is commonly used in physics and chemistry to express the mass of atomic-scale objects, such as atoms, molecules, and elementary particles, both for discrete instances and multiple types of ensemble averages.
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.
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.
Operator (physics)In physics, an operator is a function over a space of physical states onto another space of physical states. The simplest example of the utility of operators is the study of symmetry (which makes the concept of a group useful in this context). Because of this, they are useful tools in classical mechanics. Operators are even more important in quantum mechanics, where they form an intrinsic part of the formulation of the theory.
Wave function collapseIn quantum mechanics, wave function collapse occurs when a wave function—initially in a superposition of several eigenstates—reduces to a single eigenstate due to interaction with the external world. This interaction is called an observation, and is the essence of a measurement in quantum mechanics, which connects the wave function with classical observables such as position and momentum. Collapse is one of the two processes by which quantum systems evolve in time; the other is the continuous evolution governed by the Schrödinger equation.
Relative atomic massRelative atomic mass (symbol: A_r; sometimes abbreviated RAM or r.a.m.), also known by the deprecated synonym atomic weight, is a dimensionless physical quantity defined as the ratio of the average mass of atoms of a chemical element in a given sample to the atomic mass constant. The atomic mass constant (symbol: m_u) is defined as being 1/12 of the mass of a carbon-12 atom. Since both quantities in the ratio are masses, the resulting value is dimensionless.
Periodic functionA periodic function or cyclic function is a function that repeats its values at regular intervals. For example, the trigonometric functions, which repeat at intervals of radians, are periodic functions. Periodic functions are used throughout science to describe oscillations, waves, and other phenomena that exhibit periodicity. Any function that is not periodic is called aperiodic. A function f is said to be periodic if, for some nonzero constant P, it is the case that for all values of x in the domain.
Creation and annihilation operatorsCreation operators and annihilation operators are mathematical operators that have widespread applications in quantum mechanics, notably in the study of quantum harmonic oscillators and many-particle systems. An annihilation operator (usually denoted ) lowers the number of particles in a given state by one. A creation operator (usually denoted ) increases the number of particles in a given state by one, and it is the adjoint of the annihilation operator.
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.
Atomic numberThe atomic number or nuclear charge number (symbol Z) of a chemical element is the charge number of an atomic nucleus. For ordinary nuclei composed of protons and neutrons, this is equal to the proton number (np) or the number of protons found in the nucleus of every atom of that element. The atomic number can be used to uniquely identify ordinary chemical elements. In an ordinary uncharged atom, the atomic number is also equal to the number of electrons.
Natural unitsIn physics, natural units are physical units of measurement in which only universal physical constants are used as defining constants, such that each of these constants acts as a coherent unit of a quantity. For example, the elementary charge e may be used as a natural unit of electric charge, and the speed of light c may be used as a natural unit of speed. A purely natural system of units has all of its units defined such that each of these can be expressed as a product of powers of defining physical constants.
Self-adjoint operatorIn mathematics, a self-adjoint operator on an infinite-dimensional complex vector space V with inner product (equivalently, a Hermitian operator in the finite-dimensional case) is a linear map A (from V to itself) that is its own adjoint. If V is finite-dimensional with a given orthonormal basis, this is equivalent to the condition that the matrix of A is a Hermitian matrix, i.e., equal to its conjugate transpose A^∗. By the finite-dimensional spectral theorem, V has an orthonormal basis such that the matrix of A relative to this basis is a diagonal matrix with entries in the real numbers.
Differential operatorIn mathematics, a differential operator is an operator defined as a function of the differentiation operator. It is helpful, as a matter of notation first, to consider differentiation as an abstract operation that accepts a function and returns another function (in the style of a higher-order function in computer science). This article considers mainly linear differential operators, which are the most common type. However, non-linear differential operators also exist, such as the Schwarzian derivative.
Introduction to quantum mechanicsQuantum mechanics is the study of matter and its interactions with energy on the scale of atomic and subatomic particles. By contrast, classical physics explains matter and energy only on a scale familiar to human experience, including the behavior of astronomical bodies such as the moon. Classical physics is still used in much of modern science and technology. However, towards the end of the 19th century, scientists discovered phenomena in both the large (macro) and the small (micro) worlds that classical physics could not explain.
