Quantum chemistryQuantum 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. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
OvertoneAn overtone is any resonant frequency above the fundamental frequency of a sound. (An overtone may or may not be a harmonic) In other words, overtones are all pitches higher than the lowest pitch within an individual sound; the fundamental is the lowest pitch. While the fundamental is usually heard most prominently, overtones are actually present in any pitch except a true sine wave. The relative volume or amplitude of various overtone partials is one of the key identifying features of timbre, or the individual characteristic of a sound.
Ab initioAb initio (ˌæb_ᵻˈnɪʃioʊ ) is a Latin term meaning "from the beginning" and is derived from the Latin ab ("from") + initio, ablative singular of initium ("beginning"). Circa 1600, from Latin, literally "from the beginning", from ablative case of initium "entrance", "beginning", related to verb inire "to go into", "enter upon", "begin". Ab initio (abbreviation: ab init.) is used in several contexts, including the following: In law, ab initio refers to something being the case from the start or from the instant of the act rather than from when the court declared it so.
Energy levelA quantum mechanical system or particle that is bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which are bound by the electric field of the nucleus, but can also refer to energy levels of nuclei or vibrational or rotational energy levels in molecules.
Free-electron laserA free-electron laser (FEL) is a (fourth generation) light source producing extremely brilliant and short pulses of radiation. An FEL functions and behaves in many ways like a laser, but instead of using stimulated emission from atomic or molecular excitations, it employs relativistic electrons as a gain medium. Radiation is generated by a bunch of electrons passing through a magnetic structure (called undulator or wiggler).
Torsion (algebra)In mathematics, specifically in ring theory, a torsion element is an element of a module that yields zero when multiplied by some non-zero-divisor of the ring. The torsion submodule of a module is the submodule formed by the torsion elements. A torsion module is a module that equals its torsion submodule. A module is torsion-free if its torsion submodule comprises only the zero element. This terminology is more commonly used for modules over a domain, that is, when the regular elements of the ring are all its nonzero elements.
Excitation (magnetic)In electromagnetism, excitation is the process of generating a magnetic field by means of an electric current. An electric generator or electric motor consists of a rotor spinning in a magnetic field. The magnetic field may be produced by permanent magnets or by field coils. In the case of a machine with field coils, a current must flow in the coils to generate (excite) the field, otherwise no power is transferred to or from the rotor. Field coils yield the most flexible form of magnetic flux regulation and de-regulation, but at the expense of a flow of electric current.
Chirped pulse amplificationChirped pulse amplification (CPA) is a technique for amplifying an ultrashort laser pulse up to the petawatt level, with the laser pulse being stretched out temporally and spectrally, then amplified, and then compressed again. The stretching and compression uses devices that ensure that the different color components of the pulse travel different distances. CPA for lasers was introduced by Donna Strickland and Gérard Mourou at the University of Rochester in the mid-1980s, work for which they received the Nobel Prize in Physics in 2018.
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.
Eötvös experimentThe Eötvös experiment was a famous physics experiment that measured the correlation between inertial mass and gravitational mass, demonstrating that the two were one and the same, something that had long been suspected but never demonstrated with the same accuracy. The earliest experiments were done by Isaac Newton (1642–1727) and improved upon by Friedrich Wilhelm Bessel (1784–1846). A much more accurate experiment using a torsion balance was carried out by Loránd Eötvös starting around 1885, with further improvements in a lengthy run between 1906 and 1909.
Rodrigues' rotation formulaIn the theory of three-dimensional rotation, Rodrigues' rotation formula, named after Olinde Rodrigues, is an efficient algorithm for rotating a vector in space, given an axis and angle of rotation. By extension, this can be used to transform all three basis vectors to compute a rotation matrix in SO(3), the group of all rotation matrices, from an axis–angle representation. In other words, the Rodrigues' formula provides an algorithm to compute the exponential map from so(3), the Lie algebra of SO(3), to SO(3) without actually computing the full matrix exponential.
Atomic electron transitionIn atomic physics and chemistry, an atomic electron transition (also called an electronic (de-)excitation, atomic transition, or quantum jump) is a change (or jump) of an electron from one energy level to another within an atom or artificial atom. It appears discontinuous as the electron "jumps" from one quantized energy level to another, typically in a few nanoseconds or less. Electron transitions cause the emission or absorption of electromagnetic radiation in the form of quantized units called photons.
