ExperimentAn experiment is a procedure carried out to support or refute a hypothesis, or determine the efficacy or likelihood of something previously untried. Experiments provide insight into cause-and-effect by demonstrating what outcome occurs when a particular factor is manipulated. Experiments vary greatly in goal and scale but always rely on repeatable procedure and logical analysis of the results. There also exist natural experimental studies.
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.
Experimental physicsExperimental physics is the category of disciplines and sub-disciplines in the field of physics that are concerned with the observation of physical phenomena and experiments. Methods vary from discipline to discipline, from simple experiments and observations, such as Galileo's experiments, to more complicated ones, such as the Large Hadron Collider. Experimental physics is a branch of physics that is concerned with data acquisition, data-acquisition methods, and the detailed conceptualization (beyond simple thought experiments) and realization of laboratory experiments.
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.
Scientific methodThe scientific method is an empirical method for acquiring knowledge that has characterized the development of science since at least the 17th century (with notable practitioners in previous centuries; see the article history of scientific method for additional detail.) It involves careful observation, applying rigorous skepticism about what is observed, given that cognitive assumptions can distort how one interprets the observation.
Semi-empirical quantum chemistry methodSemi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods. Within the framework of Hartree–Fock calculations, some pieces of information (such as two-electron integrals) are sometimes approximated or completely omitted.
SpintronicsSpintronics (a portmanteau meaning spin transport electronics), also known as spin electronics, is the study of the intrinsic spin of the electron and its associated magnetic moment, in addition to its fundamental electronic charge, in solid-state devices. The field of spintronics concerns spin-charge coupling in metallic systems; the analogous effects in insulators fall into the field of multiferroics.
Electric power transmissionElectric power transmission is the bulk movement of electrical energy from a generating site, such as a power plant, to an electrical substation. The interconnected lines that facilitate this movement form a transmission network. This is distinct from the local wiring between high-voltage substations and customers, which is typically referred to as electric power distribution. The combined transmission and distribution network is part of electricity delivery, known as the electrical grid.
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.
Probability currentIn quantum mechanics, the probability current (sometimes called probability flux) is a mathematical quantity describing the flow of probability. Specifically, if one thinks of probability as a heterogeneous fluid, then the probability current is the rate of flow of this fluid. It is a real vector that changes with space and time. Probability currents are analogous to mass currents in hydrodynamics and electric currents in electromagnetism. As in those fields, the probability current (i.e.
Theoretical physicsTheoretical physics is a branch of physics that employs mathematical models and abstractions of physical objects and systems to rationalize, explain and predict natural phenomena. This is in contrast to experimental physics, which uses experimental tools to probe these phenomena. The advancement of science generally depends on the interplay between experimental studies and theory. In some cases, theoretical physics adheres to standards of mathematical rigour while giving little weight to experiments and observations.
Measurement in quantum mechanicsIn quantum physics, a measurement is the testing or manipulation of a physical system to yield a numerical result. A fundamental feature of quantum theory is that the predictions it makes are probabilistic. The procedure for finding a probability involves combining a quantum state, which mathematically describes a quantum system, with a mathematical representation of the measurement to be performed on that system. The formula for this calculation is known as the Born rule.
Newton's laws of motionNewton's laws of motion are three basic laws of classical mechanics that describe the relationship between the motion of an object and the forces acting on it. These laws can be paraphrased as follows: A body remains at rest, or in motion at a constant speed in a straight line, unless acted upon by a force. When a body is acted upon by a force, the time rate of change of its momentum equals the force. If two bodies exert forces on each other, these forces have the same magnitude but opposite directions.
Schrödinger equationThe Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. The equation is named after Erwin Schrödinger, who postulated the equation in 1925 and published it in 1926, forming the basis for the work that resulted in his Nobel Prize in Physics in 1933. Conceptually, the Schrödinger equation is the quantum counterpart of Newton's second law in classical mechanics.
Skin effectIn electromagnetism, skin effect is the tendency of an alternating electric current (AC) to become distributed within a conductor such that the current density is largest near the surface of the conductor and decreases exponentially with greater depths in the conductor. The electric current flows mainly at the "skin" of the conductor, between the outer surface and a level called the skin depth. Skin depth depends on the frequency of the alternating current; as frequency increases, current flow becomes more concentrated near the surface, resulting in less skin depth.
Quantum mechanicsQuantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales.
Canonical quantizationIn physics, canonical quantization is a procedure for quantizing a classical theory, while attempting to preserve the formal structure, such as symmetries, of the classical theory, to the greatest extent possible. Historically, this was not quite Werner Heisenberg's route to obtaining quantum mechanics, but Paul Dirac introduced it in his 1926 doctoral thesis, the "method of classical analogy" for quantization, and detailed it in his classic text Principles of Quantum Mechanics.
Josephson effectIn physics, the Josephson effect is a phenomenon that occurs when two superconductors are placed in proximity, with some barrier or restriction between them. It is an example of a macroscopic quantum phenomenon, where the effects of quantum mechanics are observable at ordinary, rather than atomic, scale. The Josephson effect has many practical applications because it exhibits a precise relationship between different physical measures, such as voltage and frequency, facilitating highly accurate measurements.
PendulumA pendulum is a weight suspended from a pivot so that it can swing freely. When a pendulum is displaced sideways from its resting, equilibrium position, it is subject to a restoring force due to gravity that will accelerate it back toward the equilibrium position. When released, the restoring force acting on the pendulum's mass causes it to oscillate about the equilibrium position, swinging back and forth. The time for one complete cycle, a left swing and a right swing, is called the period.
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).
