Conical intersection, the Glossary
In quantum chemistry, a conical intersection of two or more potential energy surfaces is the set of molecular geometry points where the potential energy surfaces are degenerate (intersect) and the non-adiabatic couplings between these states are non-vanishing.[1]
Table of Contents
30 relations: Ab initio multiple spawning, Avoided crossing, Bond hardening, Bond softening, Born–Oppenheimer approximation, Christopher Longuet-Higgins, Cone, Degenerate energy levels, Degrees of freedom (physics and chemistry), Diabatic representation, Diatomic molecule, DNA, Electron configuration, Excited state, Geometric phase, Ground state, Jahn–Teller effect, Molecular geometry, Molecular vibration, Orthogonal complement, Photon, Potential energy surface, Quantum chemistry, Rotation (mathematics), Spin–orbit interaction, Surface hopping, Transition state, Ultraviolet, Vibronic coupling, Wave packet.
Ab initio multiple spawning
The ab initio multiple spawning, or AIMS, method is a time-dependent formulation of quantum chemistry. Conical intersection and ab initio multiple spawning are quantum chemistry.
See Conical intersection and Ab initio multiple spawning
Avoided crossing
In quantum physics and quantum chemistry, an avoided crossing (sometimes called intended crossing, non-crossing or anticrossing) is the phenomenon where two eigenvalues of a Hermitian matrix representing a quantum observable and depending on N continuous real parameters cannot become equal in value ("cross") except on a manifold of N-3 dimensions. Conical intersection and avoided crossing are quantum chemistry.
See Conical intersection and Avoided crossing
Bond hardening
Bond hardening is a process of creating a new chemical bond by strong laser fields—an effect opposite to bond softening. Conical intersection and bond hardening are quantum chemistry.
See Conical intersection and Bond hardening
Bond softening
Bond softening is an effect of reducing the strength of a chemical bond by strong laser fields. Conical intersection and bond softening are quantum chemistry.
See Conical intersection and Bond softening
Born–Oppenheimer approximation
In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the best-known mathematical approximation in molecular dynamics. Conical intersection and Born–Oppenheimer approximation are quantum chemistry.
See Conical intersection and Born–Oppenheimer approximation
Christopher Longuet-Higgins
Hugh Christopher Longuet-Higgins (11 April 1923 – 27 March 2004) was a British scholar and teacher.
See Conical intersection and Christopher Longuet-Higgins
Cone
A cone is a three-dimensional geometric shape that tapers smoothly from a flat base (frequently, though not necessarily, circular) to a point called the apex or vertex.
See Conical intersection and Cone
Degenerate energy levels
In quantum mechanics, an energy level is degenerate if it corresponds to two or more different measurable states of a quantum system.
See Conical intersection and Degenerate energy levels
Degrees of freedom (physics and chemistry)
In physics and chemistry, a degree of freedom is an independent physical parameter in the formal description of the state of a physical system.
See Conical intersection and Degrees of freedom (physics and chemistry)
Diabatic representation
The diabatic representation as a mathematical tool for theoretical calculations of atomic collisions and of molecular interactions. Conical intersection and diabatic representation are quantum chemistry.
See Conical intersection and Diabatic representation
Diatomic molecule
Diatomic molecules are molecules composed of only two atoms, of the same or different chemical elements.
See Conical intersection and Diatomic molecule
DNA
Deoxyribonucleic acid (DNA) is a polymer composed of two polynucleotide chains that coil around each other to form a double helix.
See Conical intersection and DNA
Electron configuration
In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. Conical intersection and electron configuration are quantum chemistry.
See Conical intersection and Electron configuration
Excited state
In quantum mechanics, an excited state of a system (such as an atom, molecule or nucleus) is any quantum state of the system that has a higher energy than the ground state (that is, more energy than the absolute minimum).
See Conical intersection and Excited state
Geometric phase
In classical and quantum mechanics, geometric phase is a phase difference acquired over the course of a cycle, when a system is subjected to cyclic adiabatic processes, which results from the geometrical properties of the parameter space of the Hamiltonian.
See Conical intersection and Geometric phase
Ground state
The ground state of a quantum-mechanical system is its stationary state of lowest energy; the energy of the ground state is known as the zero-point energy of the system.
See Conical intersection and Ground state
Jahn–Teller effect
The Jahn–Teller effect (JT effect or JTE) is an important mechanism of spontaneous symmetry breaking in molecular and solid-state systems which has far-reaching consequences in different fields, and is responsible for a variety of phenomena in spectroscopy, stereochemistry, crystal chemistry, molecular and solid-state physics, and materials science.
See Conical intersection and Jahn–Teller effect
Molecular geometry
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule.
See Conical intersection and Molecular geometry
Molecular vibration
A molecular vibration is a periodic motion of the atoms of a molecule relative to each other, such that the center of mass of the molecule remains unchanged.
See Conical intersection and Molecular vibration
Orthogonal complement
In the mathematical fields of linear algebra and functional analysis, the orthogonal complement of a subspace W of a vector space V equipped with a bilinear form B is the set W^\perpof all vectors in V that are orthogonal to every vector in W. Informally, it is called the perp, short for perpendicular complement.
See Conical intersection and Orthogonal complement
Photon
A photon is an elementary particle that is a quantum of the electromagnetic field, including electromagnetic radiation such as light and radio waves, and the force carrier for the electromagnetic force.
See Conical intersection and Photon
Potential energy surface
A potential energy surface (PES) or energy landscape describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms. Conical intersection and potential energy surface are quantum chemistry.
See Conical intersection and Potential energy surface
Quantum chemistry
Quantum 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.
See Conical intersection and Quantum chemistry
Rotation (mathematics)
Rotation in mathematics is a concept originating in geometry.
See Conical intersection and Rotation (mathematics)
Spin–orbit interaction
In quantum physics, the spin–orbit interaction (also called spin–orbit effect or spin–orbit coupling) is a relativistic interaction of a particle's spin with its motion inside a potential.
See Conical intersection and Spin–orbit interaction
Surface hopping
Surface hopping is a mixed quantum-classical technique that incorporates quantum mechanical effects into molecular dynamics simulations.
See Conical intersection and Surface hopping
Transition state
In chemistry, the transition state of a chemical reaction is a particular configuration along the reaction coordinate.
See Conical intersection and Transition state
Ultraviolet
Ultraviolet (UV) light is electromagnetic radiation of wavelengths of 10–400 nanometers, shorter than that of visible light, but longer than X-rays.
See Conical intersection and Ultraviolet
Vibronic coupling
Vibronic coupling (also called nonadiabatic coupling or derivative coupling) in a molecule involves the interaction between electronic and nuclear vibrational motion. Conical intersection and Vibronic coupling are quantum chemistry.
See Conical intersection and Vibronic coupling
Wave packet
In physics, a wave packet (also known as a wave train or wave group) is a short burst of localized wave action that travels as a unit, outlined by an envelope.
See Conical intersection and Wave packet