Jablonski diagramIn molecular spectroscopy, a Jablonski diagram is a diagram that illustrates the electronic states and often the vibrational levels of a molecule, and also the transitions between them. The states are arranged vertically by energy and grouped horizontally by spin multiplicity. Nonradiative transitions are indicated by squiggly arrows and radiative transitions by straight arrows. The vibrational ground states of each electronic state are indicated with thick lines, the higher vibrational states with thinner lines.
Fluorescence in the life sciencesFluorescence is used in the life sciences generally as a non-destructive way of tracking or analysing biological molecules. Some proteins or small molecules in cells are naturally fluorescent, which is called intrinsic fluorescence or autofluorescence (such as NADH, tryptophan or endogenous chlorophyll, phycoerythrin or green fluorescent protein). Alternatively, specific or general proteins, nucleic acids, lipids or small molecules can be "labelled" with an extrinsic fluorophore, a fluorescent dye which can be a small molecule, protein or quantum dot.
Spectrum (physical sciences)In the physical sciences, the term spectrum was introduced first into optics by Isaac Newton in the 17th century, referring to the range of colors observed when white light was dispersed through a prism. Soon the term referred to a plot of light intensity or power as a function of frequency or wavelength, also known as a spectral density plot. Later it expanded to apply to other waves, such as sound waves and sea waves that could also be measured as a function of frequency (e.g., noise spectrum, sea wave spectrum).
Harmonic oscillatorIn classical mechanics, a harmonic oscillator is a system that, when displaced from its equilibrium position, experiences a restoring force F proportional to the displacement x: where k is a positive constant. If F is the only force acting on the system, the system is called a simple harmonic oscillator, and it undergoes simple harmonic motion: sinusoidal oscillations about the equilibrium point, with a constant amplitude and a constant frequency (which does not depend on the amplitude).
Heun's methodIn mathematics and computational science, Heun's method may refer to the improved or modified Euler's method (that is, the explicit trapezoidal rule), or a similar two-stage Runge–Kutta method. It is named after Karl Heun and is a numerical procedure for solving ordinary differential equations (ODEs) with a given initial value. Both variants can be seen as extensions of the Euler method into two-stage second-order Runge–Kutta methods.
Line-of-sight propagationLine-of-sight propagation is a characteristic of electromagnetic radiation or acoustic wave propagation which means waves can only travel in a direct visual path from the source to the receiver without obstacles. Electromagnetic transmission includes light emissions traveling in a straight line. The rays or waves may be diffracted, refracted, reflected, or absorbed by the atmosphere and obstructions with material and generally cannot travel over the horizon or behind obstacles.
Simple harmonic motionIn mechanics and physics, simple harmonic motion (sometimes abbreviated ()) is a special type of periodic motion an object experiences due to a restoring force whose magnitude is directly proportional to the distance of the object from an equilibrium position and acts towards the equilibrium position. It results in an oscillation that is described by a sinusoid which continues indefinitely (if uninhibited by friction or any other dissipation of energy).
Electron densityElectron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron wavefunction which itself depends upon variables ( spatial and spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory.
Coupled clusterCoupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry, but it is also used in nuclear physics. Coupled cluster essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation. Some of the most accurate calculations for small to medium-sized molecules use this method.
Aufbau principleThe aufbau principle ('aufbau, from the German Aufbauprinzip, which means "building-up principle"), also called the aufbau rule, states that in the ground state of an atom or ion, electrons fill subshells of the lowest available energy, then they fill subshells of higher energy. For example, the 1s subshell is filled before the 2s subshell is occupied. In this way, the electrons of an atom or ion form the most stable electron configuration possible.
Atomic physicsAtomic physics is the field of physics that studies atoms as an isolated system of electrons and an atomic nucleus. Atomic physics typically refers to the study of atomic structure and the interaction between atoms. It is primarily concerned with the way in which electrons are arranged around the nucleus and the processes by which these arrangements change. This comprises ions, neutral atoms and, unless otherwise stated, it can be assumed that the term atom includes ions.
Normal modeA normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies. These fixed frequencies of the normal modes of a system are known as its natural frequencies or resonant frequencies. A physical object, such as a building, bridge, or molecule, has a set of normal modes and their natural frequencies that depend on its structure, materials and boundary conditions.
