Diracs 5-Function

The initial conditions of system (20) coincide with those for the original equations X/,(0) = X" and V/i(0) = V . Appropriate treatments, as discussed in [72], are essential for the random force at large timesteps to maintain thermal equilibrium since the discretization S(t — t ) => 6nml t is poor for large At. This problem is alleviated by the numerical approach below because the relevant discretization of the Dirac function is the inner timestep At rather than a large At. [Pg.248]

CALCULATION OF THE ELECTRONIC STRUCTURE OF ANTIFERROMAGNETIC CHROMIUM WITH A SINUSOIDAL SPIN DENSITY WAVE BY THE METHOD OF DIRAC FUNCTION LINEAR COMBINATION... [Pg.139]

Note that here bracket does not mean just any round, square, or curly bracket but specifically the symbols and > known as the angle brackets or chevrons. Then ( /l is called a bra and Ivp) is a ket, which is much more than a word play because a bra wavefunction is the complex conjugate of the ket wavefunction (i.e., obtained from the ket by replacing all f s by -i s), and Equation 7.6 implies that in order to obtain the energies of a static molecule we must first let the Hamiltonian work to the right on its ket wavefunction and then take the result to compute the product with the bra wavefunction to the left. In the practice of molecular spectroscopy l /) is commonly a collection, or set, of subwavefunctions l /,) whose subscript index i runs through the number n that is equal to the number of allowed static states of the molecule under study. Equation 7.6 also implies the Dirac function equality... [Pg.114]

Treating vibrational excitations in lattice systems of adsorbed molecules in terms of bound harmonic oscillators (as presented in Chapter III and also in Appendix 1) provides only a general notion of basic spectroscopic characteristics of an adsorbate, viz. spectral line frequencies and integral intensities. This approach, however, fails to account for line shapes and manipulates spectral lines as shapeless infinitely narrow and infinitely high images described by the Dirac -functions. In simplest cases, the shape of symmetric spectral lines can be characterized by their maximum positions and full width at half maximum (FWHM). These parameters are very sensitive to various perturbations and changes in temperature and can therefore provide additional evidence on the state of an adsorbate and its binding to a surface. [Pg.78]

Whether to use as perturbing function a step, pulse, or cycled feed depends on the particular system under study. For expensive tracers, a pulse is often mandatory. However, simple textbook relations based on a Dirac function do not usually apply, for a relatively long pulse may be required to get a good signal. A long enough pulse becomes two step functions, and as already men-... [Pg.12]

Knowledge of the dynamics of excited states is of major importance in understanding photophysical, photochemical and photobiological processes. Two time-resolved techniques, pulse fluorometry and phase-modulation fluorometry, are commonly used to recover the lifetimes, or more generally the parameters characterizing the S-pulse response of a fluorescent sample (i.e. the response to an infinitely short pulse of light expressed as the Dirac function S). [Pg.167]

The convolution integral appearing in this equation can be easily understood by considering the excitation function as successive Dirac functions at various times t. [Pg.167]

At this point, it is interesting to extend the theory to include temperature effects, as was first done by Brako and Newns . When the temperature is nonzero, the Fermi-Dirac function... [Pg.345]

Theoretically, the best possible input pulse would be an impulse or a Dirac function S, y. The Fourier transformation of is equal to unity at all frequencies. [Pg.515]

Figure 3.3 Fermi Dirac function [Eq. (3.10)] with h, — 1 and several values of a.

This model is directly derived from the Langmuir isotherm. It assumes that the adsorbent surface consists of two different types of independent adsorption sites. Under this assumption, the adsorption energy distribution can be modeled by a bimodal discrete probability density function, where two spikes (delta-Dirac functions) are located at the average adsorption energy of the two kinds of sites, respectively. The equation of the Bilangmuir isotherm is... [Pg.292]

By applying the convolution theorem, we see that replication in the x domain has produced a sampling effect in the frequency domain. The wider the replication interval, the finer is the frequency sampling. Sampling in the x domain, on the other hand, appears in Fourier space as replication. Fine sampling in x produces wide spacing between cycles in co. The area under each scaled Dirac function of co may be taken as the numerical value of a sample. [Pg.24]

If we are observing a spectrum o(x ) with the aid of an instrument having a characteristic response function s(x — x ), then i represents the data acquired. If we have a perfectly resolving instrument, then s(x — x ) is a Dirac function, and our data i(x) directly represent the true spectrum, that is, o(x). In this case we have no need for deconvolution. [Pg.28]

When A/ = 1 we have the special case of the unit impulse, often termed the Dirac function <5(f). [Pg.597]

For tunneling between two equilibrium leads distribution functions are simply Fermi-Dirac functions (48) and current can be finally written in the well known form (To do this one should multiply the integrand on 1 = f 6(E-Eq)dE.)... [Pg.232]

Dirac Statistics involve exponential functions, their form is not log-normal or Gaussian. Fermi-Dirac Statistics apply directly and specifically to the absorption spectra of chromophores. No arbitrary terms need be added to the Fermi-Dirac Function of well behaved crystalline and liquid crystalline absorbers. [Pg.87]

As discussed in Section 2.6.2 electrons in a solid in thermal equilibrium obey Fermi-Dirac statistics in which the probability F ) that a state of energy is occupied is given by the Fermi-Dirac function... [Pg.48]

This last result may be expressed in terms of the transverse Dirac function, that is,... [Pg.382]

Again, passing from the Dirac function to its corresponding integral expression, it becomes... [Pg.383]

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