Quantum Master Equation
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Quantum Master Equation
A quantum master equation is a generalization of the idea of a master equation. Rather than just a system of differential equations for a set of probabilities (which only constitutes the diagonal elements of a density matrix), quantum master equations are differential equations for the entire density matrix, including off-diagonal elements. A density matrix with only diagonal elements can be modeled as a classical random process, therefore such an "ordinary" master equation is considered classical. Off-diagonal elements represent quantum coherence which is a physical characteristic that is intrinsically quantum mechanical. A formally exact quantum master equation is the Nakajima–Zwanzig equation, which is in general as difficult to solve as the full quantum problem. The Redfield equation and Lindblad equation are examples of approximate Markov property, Markovian quantum master equations. These equations are very easy to solve, but are not generally accurate. Some modern approx ...
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Master Equation
In physics, chemistry and related fields, master equations are used to describe the time evolution of a system that can be modelled as being in a probabilistic combination of states at any given time and the switching between states is determined by a transition rate matrix. The equations are a set of differential equations – over time – of the probabilities that the system occupies each of the different states. Introduction A master equation is a phenomenological set of first-order differential equations describing the time evolution of (usually) the probability of a system to occupy each one of a discrete set of states with regard to a continuous time variable ''t''. The most familiar form of a master equation is a matrix form: : \frac=\mathbf\vec, where \vec is a column vector (where element ''i'' represents state ''i''), and \mathbf is the matrix of connections. The way connections among states are made determines the dimension of the problem; it is either *a d ...
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Density Matrix Renormalization Group
The density matrix renormalization group (DMRG) is a numerical variational technique devised to obtain the low-energy physics of quantum many-body systems with high accuracy. As a variational method, DMRG is an efficient algorithm that attempts to find the lowest-energy matrix product state wavefunction of a Hamiltonian. It was invented in 1992 by Steven R. White and it is nowadays the most efficient method for 1-dimensional systems. The idea behind DMRG The main problem of quantum many-body physics is the fact that the Hilbert space grows exponentially with size. In other words if one considers a lattice, with some Hilbert space of dimension d on each site of the lattice, then the total Hilbert space would have dimension d^, where N is the number of sites on the lattice. For example, a spin-1/2 chain of length ''L'' has 2''L'' degrees of freedom. The DMRG is an iterative, variational method that reduces effective degrees of freedom to those most important for a targe ...
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Differential Equation
In mathematics, a differential equation is an equation that relates one or more unknown functions and their derivatives. In applications, the functions generally represent physical quantities, the derivatives represent their rates of change, and the differential equation defines a relationship between the two. Such relations are common; therefore, differential equations play a prominent role in many disciplines including engineering, physics, economics, and biology. Mainly the study of differential equations consists of the study of their solutions (the set of functions that satisfy each equation), and of the properties of their solutions. Only the simplest differential equations are solvable by explicit formulas; however, many properties of solutions of a given differential equation may be determined without computing them exactly. Often when a closed-form expression for the solutions is not available, solutions may be approximated numerically using computers. The theory of d ...
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Quantum Coherence
In physics, two wave sources are coherent if their frequency and waveform are identical. Coherence is an ideal property of waves that enables stationary (i.e., temporally or spatially constant) interference. It contains several distinct concepts, which are limiting cases that never quite occur in reality but allow an understanding of the physics of waves, and has become a very important concept in quantum physics. More generally, coherence describes all properties of the correlation between physical quantities of a single wave, or between several waves or wave packets. Interference is the addition, in the mathematical sense, of wave functions. A single wave can interfere with itself, but this is still an addition of two waves (see Young's slits experiment). Constructive or destructive interference are limit cases, and two waves always interfere, even if the result of the addition is complicated or not remarkable. When interfering, two waves can add together to create a wave of g ...
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Quantum Dynamics
In physics, quantum dynamics is the quantum version of classical dynamics. Quantum dynamics deals with the motions, and energy and momentum exchanges of systems whose behavior is governed by the laws of quantum mechanics. Quantum dynamics is relevant for burgeoning fields, such as quantum computing and atomic optics. In mathematics, quantum dynamics is the study of the mathematics behind 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, .... Specifically, as a study of ''dynamics'', this field investigates how quantum mechanical observables change over time. Most fundamentally, this involves the study of one-parameter automorphisms of the algebra of all bounded operators on the Hilbert space of observables (which are self-adjoint operators). These dynamics were underst ...
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Open Quantum System
In 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. Techniques developed in the context of open quantum systems have proven powerful in fields such as quantum optics, quantum measurement theory, quantum statistical mechanics, quantum information science, quantum thermodynamics, quantum cosmology, quantum biology, and semi-classical approximations. Quantum system and environment A complete description of a quantum system requires the inclusion of the environment. ...
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Hierarchical Equations Of Motion
The hierarchical equations of motion (HEOM) technique derived by Yoshitaka Tanimura and Ryogo Kubo in 1989, is a non-perturbative approach developed to study the evolution of a density matrix \rho(t) of quantum dissipative systems. The method can treat system-bath interaction non-perturbatively as well as non-Markovian noise correlation times without the hindrance of the typical assumptions that conventional Redfield (master) equations suffer from such as the Born, Markovian and rotating-wave approximations. HEOM is applicable even at low temperatures where quantum effects are not negligible. The hierarchical equation of motion for a system in a harmonic Markovian bath is : \frac_n = - (\frac\hat^_A + n\gamma) \hat_n - \hat^\hat_ + \hat\hat_ Hierarchical equations of motion HEOMs are developed to describe the time evolution of the density matrix \rho(t) for an open quantum system. It is a non-perturbative, non-Markovian approach to propagating in time a quantum state. Motivate ...
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Multi-configuration Time-dependent Hartree
Multi-configuration time-dependent Hartree (MCTDH) is a general algorithm to solve the time-dependent Schrödinger equation for multidimensional dynamical systems consisting of distinguishable particles. MCTDH can thus determine the quantal motion of the nuclei of a molecular system evolving on one or several coupled electronic potential energy surfaces. MCTDH by its very nature is an approximate method. However, it can be made as accurate as any competing method, but its numerical efficiency deteriorates with growing accuracy. MCTDH is designed for multi-dimensional problems, in particular for problems that are difficult or even impossible to attack in a conventional way. There is no or only little gain when treating systems with less than three degrees of freedom by MCTDH. MCTDH will in general be best suited for systems with 4 to 12 degrees of freedom. Because of hardware limitations it may in general not be possible to treat much larger systems. For a certain class of problems ...
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Numerical Renormalization Group
The numerical renormalization group (NRG) is a technique devised by Kenneth Wilson to solve certain many-body problems where quantum impurity physics plays a key role. History The numerical renormalization group is an inherently non-perturbative procedure, which was originally used to solve the Kondo model. The Kondo model is a simplified theoretical model which describes a system of magnetic spin-1/2 impurities which couple to metallic conduction electrons (e.g. iron impurities in gold). This problem is notoriously difficult to tackle theoretically, since perturbative techniques break down at low-energy. However, Wilson was able to prove for the first time using the numerical renormalization group that the ground state of the Kondo model is a singlet state. But perhaps more importantly, the notions of renormalization, fixed points, and renormalization group flow were introduced to the field of condensed matter theory — it is for this that Wilson won the Nobel Prize in 1982. Th ...
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Quantum Monte Carlo
Quantum Monte Carlo encompasses a large family of computational methods whose common aim is the study of complex quantum systems. One of the major goals of these approaches is to provide a reliable solution (or an accurate approximation) of the quantum many-body problem. The diverse flavors of quantum Monte Carlo approaches all share the common use of the Monte Carlo method to handle the multi-dimensional integrals that arise in the different formulations of the many-body problem. Quantum Monte Carlo methods allow for a direct treatment and description of complex many-body effects encoded in the wave function, going beyond mean-field theory. In particular, there exist numerically exact and polynomially-scaling algorithms to exactly study static properties of boson systems without geometrical frustration. For fermions, there exist very good approximations to their static properties and numerically exact exponentially scaling quantum Monte Carlo algorithms, but none that are b ...
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Density Matrix
In quantum mechanics, a density matrix (or density operator) is a matrix that describes the quantum state of a physical system. It allows for the calculation of the probabilities of the outcomes of any measurement performed upon this system, using the Born rule. It is a generalization of the more usual state vectors or wavefunctions: while those can only represent pure states, density matrices can also represent ''mixed states''. Mixed states arise in quantum mechanics in two different situations: first when the preparation of the system is not fully known, and thus one must deal with a statistical ensemble of possible preparations, and second when one wants to describe a physical system which is entangled with another, without describing their combined state. Density matrices are thus crucial tools in areas of quantum mechanics that deal with mixed states, such as quantum statistical mechanics, open quantum systems, quantum decoherence, and quantum information. Definition and ...
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Feynman Integral
The path integral formulation is a description in quantum mechanics that generalizes the action principle of classical mechanics. It replaces the classical notion of a single, unique classical trajectory for a system with a sum, or functional integral, over an infinity of quantum-mechanically possible trajectories to compute a quantum amplitude. This formulation has proven crucial to the subsequent development of theoretical physics, because manifest Lorentz covariance (time and space components of quantities enter equations in the same way) is easier to achieve than in the operator formalism of canonical quantization. Unlike previous methods, the path integral allows one to easily change coordinates between very different canonical descriptions of the same quantum system. Another advantage is that it is in practice easier to guess the correct form of the Lagrangian of a theory, which naturally enters the path integrals (for interactions of a certain type, these are ''coordin ...
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