In quantum mechanics, the Hamiltonian of a system is an operator corresponding to the total energy of that system, including both kinetic energy and potential energy. Its spectrum, the system's energy spectrum or its set of energy eigenvalues, is the set of possible outcomes obtainable from a measurement of the system's total energy. Due to its close relation to the energy spectrum and time-evolution of a system, it is of fundamental importance in most formulations of quantum theory.
The 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, and operators on these spaces. In brief, values of physical observables such as energy and momentum were no longer considered as values of functions on phase space, but as eigenvalues; more precisely as spectral values of linear operators in Hilbert space.
Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms. It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science.
In physics, specifically statistical mechanics, an ensemble is an idealization consisting of a large number of virtual copies of a system, considered all at once, each of which represents a possible state that the real system might be in. In other words, a statistical ensemble is a set of systems of particles used in statistical mechanics to describe a single system. The concept of an ensemble was introduced by J. Willard Gibbs in 1902.
The Schrödinger equation is a partial differential equation that governs the wave function of a non-relativistic quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. It 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.
Matrix mechanics is a formulation of quantum mechanics created by Werner Heisenberg, Max Born, and Pascual Jordan in 1925. It was the first conceptually autonomous and logically consistent formulation of quantum mechanics. Its account of quantum jumps supplanted the Bohr model's electron orbits. It did so by interpreting the physical properties of particles as matrices that evolve in time. It is equivalent to the Schrödinger wave formulation of quantum mechanics, as manifest in Dirac's bra–ket notation.
In theoretical physics and mathematical physics, analytical mechanics, or theoretical mechanics is a collection of closely related formulations of classical mechanics. Analytical mechanics uses scalar properties of motion representing the system as a whole—usually its kinetic energy and potential energy. The equations of motion are derived from the scalar quantity by some underlying principle about the scalar's variation.
In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum many-body system in a stationary state.
In quantum physics and chemistry, quantum numbers are quantities that characterize the possible states of the system. To fully specify the state of the electron in a hydrogen atom, four quantum numbers are needed. The traditional set of quantum numbers includes the principal, azimuthal, magnetic, and spin quantum numbers. To describe other systems, different quantum numbers are required. For subatomic particles, one needs to introduce new quantum numbers, such as the flavour of quarks, which have no classical correspondence.
In quantum mechanics, angular momentum coupling is the procedure of constructing eigenstates of total angular momentum out of eigenstates of separate angular momenta. For instance, the orbit and spin of a single particle can interact through spin–orbit interaction, in which case the complete physical picture must include spin–orbit coupling. Or two charged particles, each with a well-defined angular momentum, may interact by Coulomb forces, in which case coupling of the two one-particle angular momenta to a total angular momentum is a useful step in the solution of the two-particle Schrödinger equation. In both cases the separate angular momenta are no longer constants of motion, but the sum of the two angular momenta usually still is. Angular momentum coupling in atoms is of importance in atomic spectroscopy. Angular momentum coupling of electron spins is of importance in quantum chemistry. Also in the nuclear shell model angular momentum coupling is ubiquitous.
Quantum orbital motion involves the quantum mechanical motion of rigid particles about some other mass, or about themselves. In classical mechanics, an object's orbital motion is characterized by its orbital angular momentum and spin angular momentum, which is the object's angular momentum about its own center of mass. In quantum mechanics there are analogous orbital and spin angular momenta which describe the orbital motion of a particle, represented as quantum mechanical operators instead of vectors.
The Wigner quasiprobability distribution is a quasiprobability distribution. It was introduced by Eugene Wigner in 1932 to study quantum corrections to classical statistical mechanics. The goal was to link the wavefunction that appears in Schrödinger's equation to a probability distribution in phase space.
Many letters of the Latin alphabet, both capital and small, are used in mathematics, science, and engineering to denote by convention specific or abstracted constants, variables of a certain type, units, multipliers, or physical entities. Certain letters, when combined with special formatting, take on special meaning.
In quantum mechanics, an energy level is degenerate if it corresponds to two or more different measurable states of a quantum system. Conversely, two or more different states of a quantum mechanical system are said to be degenerate if they give the same value of energy upon measurement. The number of different states corresponding to a particular energy level is known as the degree of degeneracy of the level. It is represented mathematically by the Hamiltonian for the system having more than one linearly independent eigenstate with the same energy eigenvalue. When this is the case, energy alone is not enough to characterize what state the system is in, and other quantum numbers are needed to characterize the exact state when distinction is desired. In classical mechanics, this can be understood in terms of different possible trajectories corresponding to the same energy.
A stationary state is a quantum state with all observables independent of time. It is an eigenvector of the energy operator. It is also called energy eigenvector, energy eigenstate, energy eigenfunction, or energy eigenket. It is very similar to the concept of atomic orbital and molecular orbital in chemistry, with some slight differences explained below.
In atomic, molecular, and optical physics and quantum chemistry, the molecular Hamiltonian is the Hamiltonian operator representing the energy of the electrons and nuclei in a molecule. This operator and the associated Schrödinger equation play a central role in computational chemistry and physics for computing properties of molecules and aggregates of molecules, such as thermal conductivity, specific heat, electrical conductivity, optical, and magnetic properties, and reactivity.
Classical mechanics is a physical theory describing the motion of objects such as projectiles, parts of machinery, spacecraft, planets, stars, and galaxies. The development of classical mechanics involved substantial change in the methods and philosophy of physics. The qualifier classical distinguishes this type of mechanics from physics developed after the revolutions in physics of the early 20th century, all of which revealed limitations in classical mechanics.
This is a glossary for the terminology often encountered in undergraduate quantum mechanics courses.
In physics, particularly in quantum perturbation theory, the matrix element refers to the linear operator of a modified Hamiltonian using Dirac notation. It is in fact referring to the matrix elements of a Hamiltonian operator which serves the purpose of calculating transition probabilities between different quantum states.
