Scalar field theoryIn theoretical physics, scalar field theory can refer to a relativistically invariant classical or quantum theory of scalar fields. A scalar field is invariant under any Lorentz transformation. The only fundamental scalar quantum field that has been observed in nature is the Higgs field. However, scalar quantum fields feature in the effective field theory descriptions of many physical phenomena. An example is the pion, which is actually a pseudoscalar.
Valence bond theoryIn chemistry, valence bond (VB) theory is one of the two basic theories, along with molecular orbital (MO) theory, that were developed to use the methods of quantum mechanics to explain chemical bonding. It focuses on how the atomic orbitals of the dissociated atoms combine to give individual chemical bonds when a molecule is formed. In contrast, molecular orbital theory has orbitals that cover the whole molecule. In 1916, G. N. Lewis proposed that a chemical bond forms by the interaction of two shared bonding electrons, with the representation of molecules as Lewis structures.
Polarization densityIn classical electromagnetism, polarization density (or electric polarization, or simply polarization) is the vector field that expresses the density of permanent or induced electric dipole moments in a dielectric material. When a dielectric is placed in an external electric field, its molecules gain electric dipole moment and the dielectric is said to be polarized. The electric dipole moment induced per unit volume of the dielectric material is called the electric polarization of the dielectric.
Density of statesIn solid-state physics and condensed matter physics, the density of states (DOS) of a system describes the number of modes per unit frequency range. The density of states is defined as , where is the number of states in the system of volume whose energies lie in the range from to . It is mathematically represented as a distribution by a probability density function, and it is generally an average over the space and time domains of the various states occupied by the system.
Water modelIn computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent. The models are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations. To imitate a specific nature of molecules, many types of models have been developed. In general, these can be classified by the following three points; (i) the number of interaction points called site, (ii) whether the model is rigid or flexible, (iii) whether the model includes polarization effects.
Atomic theoryAtomic theory is the scientific theory that matter is composed of particles called atoms. The concept that matter is composed of discrete particles is an ancient idea, but gained scientific credence in the 18th and 19th centuries when scientists found it could explain the behaviors of gases and how chemical elements reacted with each other. By the end of the 19th century, atomic theory had gained widespread acceptance in the scientific community. The term "atom" comes from the Greek word atomos, which means "uncuttable".
DielectricIn electromagnetism, a dielectric (or dielectric medium) is an electrical insulator that can be polarised by an applied electric field. When a dielectric material is placed in an electric field, electric charges do not flow through the material as they do in an electrical conductor, because they have no loosely bound, or free, electrons that may drift through the material, but instead they shift, only slightly, from their average equilibrium positions, causing dielectric polarisation.
VSEPR theoryValence shell electron pair repulsion (VSEPR) theory (ˈvɛspər,_vəˈsɛpər , ), is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. It is also named the Gillespie-Nyholm theory after its two main developers, Ronald Gillespie and Ronald Nyholm. The premise of VSEPR is that the valence electron pairs surrounding an atom tend to repel each other. The greater the repulsion, the higher in energy (less stable) the molecule is.
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 .
Quantum chromodynamicsIn theoretical physics, quantum chromodynamics (QCD) is the theory of the strong interaction between quarks mediated by gluons. Quarks are fundamental particles that make up composite hadrons such as the proton, neutron and pion. QCD is a type of quantum field theory called a non-abelian gauge theory, with symmetry group SU(3). The QCD analog of electric charge is a property called color. Gluons are the force carriers of the theory, just as photons are for the electromagnetic force in quantum electrodynamics.
