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If Restart is not checked then the velocities are randomly assigned in a way that leads to a Maxwell-Boltzmann distribution of velocities. That is, a random number generator assigns velocities according to a Gaussian probability distribution. The velocities are then scaled so that the total kinetic energy is exactly 12 kT where T is the specified starting temperature. After a short period of simulation the velocities evolve into a Maxwell-Boltzmann distribution. [Pg.313]

Fig. 12.12. A circularly symmetric Gaussian probability distribution p x,y) describing a two-dimensional random walk emerges for large times on the macroscopic level, despite the fact that the underlying Euclidean lattice is anisotropic. Fig. 12.12. A circularly symmetric Gaussian probability distribution p x,y) describing a two-dimensional random walk emerges for large times on the macroscopic level, despite the fact that the underlying Euclidean lattice is anisotropic.
Under specific circumstances, alternative forms for ks j have been proposed like the parabolic or the truncated Gaussian probability distribution function for example [154]. [Pg.139]

For a distribution expanded around the equilibrium position, the first derivative is zero, and may be omitted, while the second derivatives are redundant as they merely modify the harmonic distribution. Since P0(u) is a Gaussian distribution, Eq. (2.28) can be simplified by use of the Tchebycheff-Hermite polynomials, often referred to simply as Hermite polynomials,3. , related to the derivatives of the three-dimensional Gaussian probability distribution by... [Pg.31]

For the case of D-RADP-20 we have assumed a Gaussian probability distribution of transition temperatures, and therefore used an error function to fit the transition region. For D-RADP-25 the transition temperatures range from 138 K down to 118 K. In this temperature range, it is not possible to separate... [Pg.130]

Gaussian coils are characterized by a gaussian probability distribution [2] for the monomers and describe adequately flexible polymer blocks. Ideal chains follow random walk statistics, i.e.,... [Pg.91]

Here, X. is the stochastic state vector, B(r,X.j) is a vector describing the contribution of the diffusion to the stochastic process and W. is a vector with the same dimensions as X. and B(t,X.j). After Eqs. (4.94) and (4.95), the W,. vector is a Wiener process (we recall that this process is stochastic with a mean value equal to zero and a gaussian probability distribution) with the same dimensions as D(t,X,) ... [Pg.232]

Normalized one-dimensional Gaussian probability distribution function for occupying position x after random N steps from the origin (x = 0). [Pg.69]

Demonstrate that the Gaussian probability distribution function of a onedimensional random walk is normalized to unity ... [Pg.92]

A Gaussian probability distribution of fiber axis orientations was employed to account for the spectral broadening observed in both the parallel and... [Pg.317]

We will assume that any population of experimental results is governed by the Gaussian probability distribution (also called the normal distribution), introduced in Chapter 5. The important properties of that distribution are as listed in that chapter ... [Pg.323]

The name error function is chosen because of its frequent use in probability calculations involving the Gaussian probability distribution. Another form giving the same information is the normal probability integral ... [Pg.385]

Traditional theoretical approaches to quantiun size elfects (QSE) in metal particles are based on random matrix theory (RMT), which was first established by Wigner and Dyson to describe the spectrum of heavy nuclei. It is assumed that the (random) Hamiltonian of the system is a random N x N Hermitian matrix, with a Gaussian probability distribution of the form ... [Pg.1449]

In the optimization process, the target function is the average Kullack-Leibler (KL) distance for all heavy atoms, which characterizes the difference between two Gaussian probability distributions defined by the theoretical and experimental ADPs [30,42,46], Given the eigenvalues (ofT, p e 1,2,3) and eigenvectors... [Pg.239]

This section summarizes the classical, equilibrium, statistical mechanics of many-particle systems, where the particles are described by their positions, q, and momenta, p. The section begins with a review of the definition of entropy and a derivation of the Boltzmann distribution and discusses the effects of fluctuations about the most probable state of a system. Some worked examples are presented to illustrate the thermodynamics of the nearly ideal gas and the Gaussian probability distribution for fluctuations. [Pg.7]

Calculate the thermodynamic average of the surface-averaged mean curvature, H, the mean-square curvature, and the Gaussian curvature, K, of the surface if the Fourier transform of the random" field, rjr(q) is described by a Gaussian probability distribution, P [ (5) ]- Perform the calculation for the case where the different wavevectors, q, are uncoupled so that one can write the probability distribution for a single mode as... [Pg.256]

To add the photon noise contribution to the interferograms generated by the simulator, Igraw, the dominant term of the NEP considered is the shot noise. In this situation, photon noise follows Poisson statistics and it can be approximated by a Gaussian probability distribution. The generation-recombination contribution to the NEP is assumed to follow also Poisson statistics. The total NEP is calculated as... [Pg.95]

With the exception of photon counters in the visible and near infrared and background-limited detectors in the LWIR, additive electric circuit noise usually dominates the noise output from a detection system. The noise arises in the load resistance, R, of Fig. 2(b) as well as in the elements of the following amplifier. Sometimes called Johnson noise, after its discoverer in the late 1920s, the current fluctuation arises from the random thermal motion of electrons in the resistors and transistors in the circuit. The resistor noise can be represented by a parallel current source whose mean square value and Gaussian probability distribution are... [Pg.217]

In the case of a flexible-coil molecule, even under quiescent conditions, there is no abrupt cut-off of overlap with decreasing concentration, owing to the Gaussian probability distribution of a segment occupying a volume at some distance from the origin. [Pg.238]

Figure 3.4 The Gaussian probability distribution for the free end of a chain must be multiplied by the volume in which that end can reside P(r) = p(r) X 4jir dr... Figure 3.4 The Gaussian probability distribution for the free end of a chain must be multiplied by the volume in which that end can reside P(r) = p(r) X 4jir dr...

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