Rotational Transition
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Rotational Transition
In quantum mechanics, a rotational transition is an abrupt change in angular momentum. Like all other properties of a quantum particle, angular momentum is quantized, meaning it can only equal certain discrete values, which correspond to different rotational energy states. When a particle loses angular momentum, it is said to have transitioned to a lower rotational energy state. Likewise, when a particle gains angular momentum, a positive rotational transition is said to have occurred. Rotational transitions are important in physics due to the unique spectral lines that result. Because there is a net gain or loss of energy during a transition, electromagnetic radiation of a particular frequency must be absorbed or emitted. This forms spectral lines at that frequency which can be detected with a spectrometer, as in rotational spectroscopy or Raman spectroscopy. Diatomic molecules Molecules have rotational energy owing to rotational motion of the nuclei about their center of mas ...
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Quantum Mechanics
Quantum 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. Most theories in classical physics can be derived from quantum mechanics as an approximation valid at large (macroscopic) scale. Quantum mechanics differs from classical physics in that energy, momentum, angular momentum, and other quantities of a bound system are restricted to discrete values ( quantization); objects have characteristics of both particles and waves ( wave–particle duality); and there ar ...
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Born–Oppenheimer Approximation
In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the best-known mathematical approximation in molecular dynamics. Specifically, it is the assumption that the wave functions of atomic nuclei and electrons in a molecule can be treated separately, based on the fact that the nuclei are much heavier than the electrons. Due to the larger relative mass of a nucleus compared to an electron, the coordinates of the nuclei in a system are approximated as fixed, while the coordinates of the electrons are dynamic. The approach is named after Max Born and J. Robert Oppenheimer who proposed it in 1927, in the early period of quantum mechanics. The approximation is widely used in quantum chemistry to speed up the computation of molecular wavefunctions and other properties for large molecules. There are cases where the assumption of separable motion no longer holds, which make the approximation lose validity (it is said to "break down"), but even the ...
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Eigenfunction
In mathematics, an eigenfunction of a linear operator ''D'' defined on some function space is any non-zero function f in that space that, when acted upon by ''D'', is only multiplied by some scaling factor called an eigenvalue. As an equation, this condition can be written as Df = \lambda f for some scalar eigenvalue \lambda. The solutions to this equation may also be subject to boundary conditions that limit the allowable eigenvalues and eigenfunctions. An eigenfunction is a type of eigenvector. Eigenfunctions In general, an eigenvector of a linear operator ''D'' defined on some vector space is a nonzero vector in the domain of ''D'' that, when ''D'' acts upon it, is simply scaled by some scalar value called an eigenvalue. In the special case where ''D'' is defined on a function space, the eigenvectors are referred to as eigenfunctions. That is, a function ''f'' is an eigenfunction of ''D'' if it satisfies the equation where λ is a scalar. The solutions to Equation may also ...
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Angular Momentum
In physics, angular momentum (rarely, moment of momentum or rotational momentum) is the rotational analog of linear momentum. It is an important physical quantity because it is a conserved quantity—the total angular momentum of a closed system remains constant. Angular momentum has both a direction and a magnitude, and both are conserved. Bicycles and motorcycles, frisbees, rifled bullets, and gyroscopes owe their useful properties to conservation of angular momentum. Conservation of angular momentum is also why hurricanes form spirals and neutron stars have high rotational rates. In general, conservation limits the possible motion of a system, but it does not uniquely determine it. The three-dimensional angular momentum for a point particle is classically represented as a pseudovector , the cross product of the particle's position vector (relative to some origin) and its momentum vector; the latter is in Newtonian mechanics. Unlike linear momentum, angular m ...
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Kinetic Energy
In physics, the kinetic energy of an object is the energy that it possesses due to its motion. It is defined as the work needed to accelerate a body of a given mass from rest to its stated velocity. Having gained this energy during its acceleration, the body maintains this kinetic energy unless its speed changes. The same amount of work is done by the body when decelerating from its current speed to a state of rest. Formally, a kinetic energy is any term in a system's Lagrangian which includes a derivative with respect to time. In classical mechanics, the kinetic energy of a non-rotating object of mass ''m'' traveling at a speed ''v'' is \fracmv^2. In relativistic mechanics, this is a good approximation only when ''v'' is much less than the speed of light. The standard unit of kinetic energy is the joule, while the English unit of kinetic energy is the foot-pound. History and etymology The adjective ''kinetic'' has its roots in the Greek word κίνησις ''kines ...
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Angular Momentum Of A Diatomic Molecule
Angular may refer to: Anatomy * Angular artery, the terminal part of the facial artery * Angular bone, a large bone in the lower jaw of amphibians and reptiles * Angular incisure, a small anatomical notch on the stomach * Angular gyrus, a region of the brain in the parietal lobe * Angular vein, formed by the junction of the frontal vein and supraorbital vein Other uses * Angular (web framework), an open-source web platform **AngularJS, the first incarnation of Angular * Angle, having an angle or angles * Angular diameter, describing how large a sphere or circle appears from a given point of view ** Angular diameter distance, used in astronomy * Angular Recording Corporation Angular Recording Corporation was an independent record label founded in New Cross, South East London. It was established in June 2003 by two ex-Goldsmiths College students, Joe Daniel and Joe Margetts, who reclaimed a local Ordnance Survey T ..., a British independent record label See also * Angle (dis ...
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Potential Well
A potential well is the region surrounding a local minimum of potential energy. Energy captured in a potential well is unable to convert to another type of energy (kinetic energy in the case of a gravitational potential well) because it is captured in the local minimum of a potential well. Therefore, a body may not proceed to the global minimum of potential energy, as it would naturally tend to do due to entropy. Overview Energy may be released from a potential well if sufficient energy is added to the system such that the local maximum is surmounted. In quantum physics, potential energy may escape a potential well without added energy due to the probabilistic characteristics of quantum particles; in these cases a particle may be imagined to tunnel ''through'' the walls of a potential well. The graph of a 2D potential energy function is a potential energy surface that can be imagined as the Earth's surface in a landscape of hills and valleys. Then a potential well would be ...
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Wave Function
A wave function in quantum physics is a mathematical description of the quantum state of an isolated quantum system. The wave function is a complex-valued probability amplitude, and the probabilities for the possible results of measurements made on the system can be derived from it. The most common symbols for a wave function are the Greek letters and (lower-case and capital psi, respectively). The wave function is a function of the degrees of freedom corresponding to some maximal set of commuting observables. Once such a representation is chosen, the wave function can be derived from the quantum state. For a given system, the choice of which commuting degrees of freedom to use is not unique, and correspondingly the domain of the wave function is also not unique. For instance, it may be taken to be a function of all the position coordinates of the particles over position space, or the momenta of all the particles over momentum space; the two are related by a Fourier ...
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Momentum Operator
In quantum mechanics, the momentum operator is the operator associated with the linear momentum. The momentum operator is, in the position representation, an example of a differential operator. For the case of one particle in one spatial dimension, the definition is: \hat = - i \hbar \frac where is Planck's reduced constant, the imaginary unit, is the spatial coordinate, and a partial derivative (denoted by \partial/\partial x) is used instead of a total derivative () since the wave function is also a function of time. The "hat" indicates an operator. The "application" of the operator on a differentiable wave function is as follows: \hat\psi = - i \hbar \frac In a basis of Hilbert space consisting of momentum eigenstates expressed in the momentum representation, the action of the operator is simply multiplication by , i.e. it is a multiplication operator, just as the position operator is a multiplication operator in the position representation. Note that the definition a ...
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Eigenvalue
In linear algebra, an eigenvector () or characteristic vector of a linear transformation is a nonzero vector that changes at most by a scalar factor when that linear transformation is applied to it. The corresponding eigenvalue, often denoted by \lambda, is the factor by which the eigenvector is scaled. Geometrically, an eigenvector, corresponding to a real nonzero eigenvalue, points in a direction in which it is stretched by the transformation and the eigenvalue is the factor by which it is stretched. If the eigenvalue is negative, the direction is reversed. Loosely speaking, in a multidimensional vector space, the eigenvector is not rotated. Formal definition If is a linear transformation from a vector space over a field into itself and is a nonzero vector in , then is an eigenvector of if is a scalar multiple of . This can be written as T(\mathbf) = \lambda \mathbf, where is a scalar in , known as the eigenvalue, characteristic value, or characteristic root a ...
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Reduced Mass
In physics, the reduced mass is the "effective" inertial mass appearing in the two-body problem of Newtonian mechanics. It is a quantity which allows the two-body problem to be solved as if it were a one-body problem. Note, however, that the mass determining the gravitational force is ''not'' reduced. In the computation, one mass ''can'' be replaced with the reduced mass, if this is compensated by replacing the other mass with the sum of both masses. The reduced mass is frequently denoted by \mu ( mu), although the standard gravitational parameter is also denoted by \mu (as are a number of other physical quantities). It has the dimensions of mass, and SI unit kg. Equation Given two bodies, one with mass ''m''1 and the other with mass ''m''2, the equivalent one-body problem, with the position of one body with respect to the other as the unknown, is that of a single body of mass :\mu = \cfrac = \cfrac,\!\, where the force on this mass is given by the force between the two ...
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Schrödinger Equation
The Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. It is a key result in quantum mechanics, and its discovery was a significant landmark in the development of the subject. 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. Given a set of known initial conditions, Newton's second law makes a mathematical prediction as to what path a given physical system will take over time. The Schrödinger equation gives the evolution over time of a wave function, the quantum-mechanical characterization of an isolated physical system. The equation can be derived from the fact that the time-evolution operator must be unitary, and must therefore be generated ...
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