Potential energy surfaceA potential energy surface (PES) describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms. The surface might define the energy as a function of one or more coordinates; if there is only one coordinate, the surface is called a potential energy curve or . An example is the Morse/Long-range potential. It is helpful to use the analogy of a landscape: for a system with two degrees of freedom (e.g.
IsomerIn chemistry, isomers are molecules or polyatomic ions with identical molecular formula – that is, same number of atoms of each element – but distinct arrangements of atoms in space. Isomerism refers to the existence or possibility of isomers. Isomers do not necessarily share similar chemical or physical properties. Two main forms of isomerism are structural or constitutional isomerism, in which bonds between the atoms differ; and stereoisomerism or spatial isomerism, in which the bonds are the same but the relative positions of the atoms differ.
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.
Torsion springA torsion spring is a spring that works by twisting its end along its axis; that is, a flexible elastic object that stores mechanical energy when it is twisted. When it is twisted, it exerts a torque in the opposite direction, proportional to the amount (angle) it is twisted. There are various types: A torsion bar is a straight bar of metal or rubber that is subjected to twisting (shear stress) about its axis by torque applied at its ends.
Yukawa interactionIn particle physics, Yukawa's interaction or Yukawa coupling, named after Hideki Yukawa, is an interaction between particles according to the Yukawa potential. Specifically, it is a scalar field (or pseudoscalar field) φ and a Dirac field ψ of the type The Yukawa interaction was developed to model the strong force between hadrons. A Yukawa interaction is thus used to describe the nuclear force between nucleons mediated by pions (which are pseudoscalar mesons).
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.
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.
Potential energyIn physics, potential energy is the energy held by an object because of its position relative to other objects, stresses within itself, its electric charge, or other factors. The term potential energy was introduced by the 19th-century Scottish engineer and physicist William Rankine, although it has links to the ancient Greek philosopher Aristotle's concept of potentiality. Common types of potential energy include the gravitational potential energy of an object, the elastic potential energy of an extended spring, and the electric potential energy of an electric charge in an electric field.
Non-covalent interactionIn chemistry, a non-covalent interaction differs from a covalent bond in that it does not involve the sharing of electrons, but rather involves more dispersed variations of electromagnetic interactions between molecules or within a molecule. The chemical energy released in the formation of non-covalent interactions is typically on the order of 1–5 kcal/mol (1000–5000 calories per 6.02 molecules). Non-covalent interactions can be classified into different categories, such as electrostatic, π-effects, van der Waals forces, and hydrophobic effects.
Surface energyIn surface science, surface free energy (also interfacial free energy or surface energy) quantifies the disruption of intermolecular bonds that occurs when a surface is created. In solid-state physics, surfaces must be intrinsically less energetically favorable than the bulk of the material (the atoms on the surface have more energy compared with the atoms in the bulk), otherwise there would be a driving force for surfaces to be created, removing the bulk of the material (see sublimation).
