Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
FemtochemistryFemtochemistry is the area of physical chemistry that studies chemical reactions on extremely short timescales (approximately 10−15 seconds or one femtosecond, hence the name) in order to study the very act of atoms within molecules (reactants) rearranging themselves to form new molecules (products). In a 1988 issue of the journal Science, Ahmed Hassan Zewail published an article using this term for the first time, stating "Real-time femtochemistry, that is, chemistry on the femtosecond timescale...".
Rydberg constantIn spectroscopy, the Rydberg constant, symbol for heavy atoms or for hydrogen, named after the Swedish physicist Johannes Rydberg, is a physical constant relating to the electromagnetic spectra of an atom. The constant first arose as an empirical fitting parameter in the Rydberg formula for the hydrogen spectral series, but Niels Bohr later showed that its value could be calculated from more fundamental constants according to his model of the atom.
Excited stateIn quantum mechanics, an excited state of a system (such as an atom, molecule or nucleus) is any quantum state of the system that has a higher energy than the ground state (that is, more energy than the absolute minimum). Excitation refers to an increase in energy level above a chosen starting point, usually the ground state, but sometimes an already excited state. The temperature of a group of particles is indicative of the level of excitation (with the notable exception of systems that exhibit negative temperature).
Open quantum systemIn physics, an open quantum system is a quantum-mechanical system that interacts with an external quantum system, which is known as the environment or a bath. In general, these interactions significantly change the dynamics of the system and result in quantum dissipation, such that the information contained in the system is lost to its environment. Because no quantum system is completely isolated from its surroundings, it is important to develop a theoretical framework for treating these interactions in order to obtain an accurate understanding of quantum systems.
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.
Hydrogen spectral seriesThe emission spectrum of atomic hydrogen has been divided into a number of spectral series, with wavelengths given by the Rydberg formula. These observed spectral lines are due to the electron making transitions between two energy levels in an atom. The classification of the series by the Rydberg formula was important in the development of quantum mechanics. The spectral series are important in astronomical spectroscopy for detecting the presence of hydrogen and calculating red shifts.
Ultrafast laser spectroscopyUltrafast laser spectroscopy is a spectroscopic technique that uses ultrashort pulse lasers for the study of dynamics on extremely short time scales (attoseconds to nanoseconds). Different methods are used to examine the dynamics of charge carriers, atoms, and molecules. Many different procedures have been developed spanning different time scales and photon energy ranges; some common methods are listed below. Dynamics on the as to fs time scale are in general too fast to be measured electronically.
Bohr modelIn atomic physics, the Bohr model or Rutherford–Bohr model of the atom, presented by Niels Bohr and Ernest Rutherford in 1913, consists of a small, dense nucleus surrounded by orbiting electrons. It is analogous to the structure of the Solar System, but with attraction provided by electrostatic force rather than gravity, and with the electron energies quantized (assuming only discrete values).
FemtosecondA femtosecond is a unit of time in the International System of Units (SI) equal to 10^-15 or of a second; that is, one quadrillionth, or one millionth of one billionth, of a second. For context, a femtosecond is to a second as a second is to about 31.71 million years; a ray of light travels approximately 0.3 μm (micrometers) in 1 femtosecond, a distance comparable to the diameter of a virus. The word femtosecond is formed by the SI prefix femto and the SI unit second. Its symbol is fs.
Fictitious forceA fictitious force is a force that appears to act on a mass whose motion is described using a non-inertial frame of reference, such as a linearly accelerating or rotating reference frame. It is related to Newton's second law of motion, which treats forces for just one object. Passengers in a vehicle accelerating in the forward direction may perceive they are acted upon by a force moving them into the direction of the backrest of their seats for instance.
Inertial frame of referenceIn classical physics and special relativity, an inertial frame of reference (also called inertial space, or Galilean reference frame) is a frame of reference not undergoing any acceleration. It is a frame in which an isolated physical object—an object with zero net force acting on it—is perceived to move with a constant velocity or, equivalently, it is a frame of reference in which Newton's first law of motion holds.
Inertial navigation systemAn inertial navigation system (INS) is a navigation device that uses motion sensors (accelerometers), rotation sensors (gyroscopes) and a computer to continuously calculate by dead reckoning the position, the orientation, and the velocity (direction and speed of movement) of a moving object without the need for external references. Often the inertial sensors are supplemented by a barometric altimeter and sometimes by magnetic sensors (magnetometers) and/or speed measuring devices.
BehaviorBehavior (American English) or behaviour (British English) is the range of actions and mannerisms made by individuals, organisms, systems or artificial entities in some environment. These systems can include other systems or organisms as well as the inanimate physical environment. It is the computed response of the system or organism to various stimuli or inputs, whether internal or external, conscious or subconscious, overt or covert, and voluntary or involuntary.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
Inertial measurement unitAn inertial measurement unit (IMU) is an electronic device that measures and reports a body's specific force, angular rate, and sometimes the orientation of the body, using a combination of accelerometers, gyroscopes, and sometimes magnetometers. When the magnetometer is included, IMUs are referred to as IMMUs. IMUs are typically used to maneuver modern vehicles including motorcycles, missiles, aircraft (an attitude and heading reference system), including unmanned aerial vehicles (UAVs), among many others, and spacecraft, including satellites and landers.
SpectroscopySpectroscopy is the field of study that measures and interprets the electromagnetic spectra that result from the interaction between electromagnetic radiation and matter as a function of the wavelength or frequency of the radiation. Matter waves and acoustic waves can also be considered forms of radiative energy, and recently gravitational waves have been associated with a spectral signature in the context of the Laser Interferometer Gravitational-Wave Observatory (LIGO).
System dynamicsSystem dynamics (SD) is an approach to understanding the nonlinear behaviour of complex systems over time using stocks, flows, internal feedback loops, table functions and time delays. System dynamics is a methodology and mathematical modeling technique to frame, understand, and discuss complex issues and problems. Originally developed in the 1950s to help corporate managers improve their understanding of industrial processes, SD is currently being used throughout the public and private sector for policy analysis and design.
Applied behavior analysisApplied behavior analysis (ABA), also called behavioral engineering, is a psychological intervention that applies empirical approaches based upon the principles of respondent and operant conditioning to change behavior of social significance. It is the applied form of behavior analysis; the other two forms are radical behaviorism (or the philosophy of the science) and the experimental analysis of behavior (or basic experimental laboratory research).
Infrared spectroscopyInfrared spectroscopy (IR spectroscopy or vibrational spectroscopy) is the measurement of the interaction of infrared radiation with matter by absorption, emission, or reflection. It is used to study and identify chemical substances or functional groups in solid, liquid, or gaseous forms. It can be used to characterize new materials or identify and verify known and unknown samples. The method or technique of infrared spectroscopy is conducted with an instrument called an infrared spectrometer (or spectrophotometer) which produces an infrared spectrum.
