Fundamental interactionIn physics, the fundamental interactions or fundamental forces are the interactions that do not appear to be reducible to more basic interactions. There are four fundamental interactions known to exist: gravity electromagnetism weak interaction strong interaction The gravitational and electromagnetic interactions produce long-range forces whose effects can be seen directly in everyday life. The strong and weak interactions produce forces at minuscule, subatomic distances and govern nuclear interactions inside atoms.
Weak interactionIn nuclear physics and particle physics, the weak interaction, which is also often called the weak force or weak nuclear force, is one of the four known fundamental interactions, with the others being electromagnetism, the strong interaction, and gravitation. It is the mechanism of interaction between subatomic particles that is responsible for the radioactive decay of atoms: The weak interaction participates in nuclear fission and nuclear fusion.
Strong interactionIn nuclear physics and particle physics, the strong interaction, which is also often called the strong force or strong nuclear force, is a fundamental interaction that confines quarks into proton, neutron, and other hadron particles. The strong interaction also binds neutrons and protons to create atomic nuclei, where it is called the nuclear force. Most of the mass of a common proton or neutron is the result of the strong interaction energy; the individual quarks provide only about 1% of the mass of a proton.
Charge-transfer complexIn chemistry, a charge-transfer (CT) complex or electron-donor-acceptor complex describes a type of supramolecular assembly of two or more molecules or ions. The assembly consists of two molecules that self-attract through electrostatic forces, i.e., one has at least partial negative charge and the partner has partial positive charge, referred to respectively as the electron acceptor and electron donor. In some cases, the degree of charge transfer is "complete", such that the CT complex can be classified as a salt.
Electroweak interactionIn particle physics, the electroweak interaction or electroweak force is the unified description of two of the four known fundamental interactions of nature: electromagnetism (electromagnetic interaction) and the weak interaction. Although these two forces appear very different at everyday low energies, the theory models them as two different aspects of the same force. Above the unification energy, on the order of 246 GeV, they would merge into a single force.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
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.
Weak isospinIn particle physics, weak isospin is a quantum number relating to the electrically charged part of the weak interaction: Particles with half-integer weak isospin can interact with the _W boson+- bosons; particles with zero weak isospin do not. Weak isospin is a construct parallel to the idea of isospin under the strong interaction. Weak isospin is usually given the symbol T or I, with the third component written as T_3 or I_3. It can be understood as the eigenvalue of a charge operator.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
Coordination complexA coordination complex is a chemical compound consisting of a central atom or ion, which is usually metallic and is called the coordination centre, and a surrounding array of bound molecules or ions, that are in turn known as ligands or complexing agents. Many metal-containing compounds, especially those that include transition metals (elements like titanium that belong to the periodic table's d-block), are coordination complexes. Coordination complexes are so pervasive that their structures and reactions are described in many ways, sometimes confusingly.
Neutral currentWeak neutral current interactions are one of the ways in which subatomic particles can interact by means of the weak force. These interactions are mediated by the Z boson. The discovery of weak neutral currents was a significant step toward the unification of electromagnetism and the weak force into the electroweak force, and led to the discovery of the W and Z bosons. The weak force is best known for its role in nuclear decay. It has very short range but (apart from gravity) is the only force to interact with neutrinos.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Weak hyperchargeIn the Standard Model of electroweak interactions of particle physics, the weak hypercharge is a quantum number relating the electric charge and the third component of weak isospin. It is frequently denoted and corresponds to the gauge symmetry U(1). It is conserved (only terms that are overall weak-hypercharge neutral are allowed in the Lagrangian). However, one of the interactions is with the Higgs field. Since the Higgs field vacuum expectation value is nonzero, particles interact with this field all the time even in vacuum.
Fermi's interactionIn particle physics, Fermi's interaction (also the Fermi theory of beta decay or the Fermi four-fermion interaction) is an explanation of the beta decay, proposed by Enrico Fermi in 1933. The theory posits four fermions directly interacting with one another (at one vertex of the associated Feynman diagram). This interaction explains beta decay of a neutron by direct coupling of a neutron with an electron, a neutrino (later determined to be an antineutrino) and a proton.
Weak chargeIn nuclear physics and atomic physics, weak charge refers to the Standard Model weak interaction coupling of a particle to the Z boson. For example, for any given nuclear isotope, the total weak charge is approximately −0.99 per neutron, and +0.07 per proton. It also shows an effect of parity violation during electron scattering. This same term is sometimes also used to refer to other, distinct quantities, such as weak isospin, weak hypercharge, or the vector coupling of a fermion to the Z boson (i.e.
Nuclear forceThe nuclear force (or nucleon–nucleon interaction, residual strong force, or, historically, strong nuclear force) is a force that acts between the protons and neutrons of atoms. Neutrons and protons, both nucleons, are affected by the nuclear force almost identically. Since protons have charge +1 e, they experience an electric force that tends to push them apart, but at short range the attractive nuclear force is strong enough to overcome the electromagnetic force. The nuclear force binds nucleons into atomic nuclei.
GravitonIn theories of quantum gravity, the graviton is the hypothetical quantum of gravity, an elementary particle that mediates the force of gravitational interaction. There is no complete quantum field theory of gravitons due to an outstanding mathematical problem with renormalization in general relativity. In string theory, believed by some to be a consistent theory of quantum gravity, the graviton is a massless state of a fundamental string.
JelliumJellium, also known as the uniform electron gas (UEG) or homogeneous electron gas (HEG), is a quantum mechanical model of interacting electrons in a solid where the positive charges (i.e. atomic nuclei) are assumed to be uniformly distributed in space; the electron density is a uniform quantity as well in space. This model allows one to focus on the effects in solids that occur due to the quantum nature of electrons and their mutual repulsive interactions (due to like charge) without explicit introduction of the atomic lattice and structure making up a real material.
Minkowski functionalIn mathematics, in the field of functional analysis, a Minkowski functional (after Hermann Minkowski) or gauge function is a function that recovers a notion of distance on a linear space. If is a subset of a real or complex vector space then the or of is defined to be the function valued in the extended real numbers, defined by where the infimum of the empty set is defined to be positive infinity (which is a real number so that would then be real-valued).
Interatomic potentialInteratomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
