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Properties of the Green function

The definition of the Schrodinger Green function can be extended to a complexvalued energy parameter z. Then Eq. (7.23) for the Schrodinger equation can be written as [Pg.124]

This formula indicates that the residue of G(z) at an eigenvalue pole is just the density matrix, in the coordinate representation, summed over all eigenfunctions with this eigenvalue. This residue can be extracted conveniently by using Dirac s formula after displacing each eigenvalue into the lower complex plane, [Pg.124]

Specializing to the electronic density for electrons of one spin in the local coordinates of a particular cell, the local density per unit energy is [Pg.124]

Summing over all eigenenergies below a chemical potential or Fermi level /x, the local density function is defined by a contour integral passing above all poles on the real axis, [Pg.124]

In methodology based on computation of the Green function, this formula replaces the usual sum over eigenfunctions. When integrated over coordinate space, [Pg.124]


Using the properties of the Green s function (see Appendix B), the evaluation of the effect of distortion to transmission matrix elements can be greatly simplified. First, because of the continuity of the wavefunction and its derivative across the separation surface, only the multiplier of the wavefunctions at the separation surface is relevant. Second, in the first-order approximation, the effect of the distortion potential is additive [see Eq. (2.39)]. Thus, to evaluate the multiplier, a simpler undistorted Hamiltonian might be used instead of the accurate one. For example, the Green s function and the wavefunction of the vacuum can be used to evaluate the distortion multiplier. [Pg.70]

An important property which is preserved in the relaxation case is the Herglotz property of the Green s function Goo( ). It can be expanded in the form... [Pg.104]

It is convenient to consider some general formal properties of the Green s function for the operators and H. Corresponding to the operator one introduces the Green s function... [Pg.164]

Section 2.6 gives the Lagrangian formalism of field theory. The properties of the correlation function of the order parameter G (Green s function) are treated in detail, slncp many experimentally determined values are expressed in terms of this function. [Pg.250]

The Green s function method is carried out iteratively with steps analogous to time steps. Repetitive sampling is based on the property of the Green s function which reproduces the wavefunction from itself... [Pg.147]

What is addressed by these sources is the ontology of quantal description. Wave functions (and other related quantities, like Green functions or density matrices), far from being mere compendia or short-hand listings of observational data, obtained in the domain of real numbers, possess an actuality of tbeir own. From a knowledge of the wave functions for real values of the variables and by relying on their analytical behavior for complex values, new properties come to the open, in a way that one can perhaps view, echoing the quotations above, as miraculous. ... [Pg.96]

The diffusion and Greens function Monte Carlo methods use numerical wave functions. In this case, care must be taken to ensure that the wave function has the nodal properties of an antisymmetric function. Often, nodal sur-... [Pg.26]

In sintering, the green compact is placed on a wide-mesh belt and slowly moves through a controlled atmosphere furnace (Fig. 3). The parts are heated to below the melting point of the base metal, held at the sintering temperature, and cooled. Basically a solid-state process, sintering transforms mechanical bonds, ie, contact points, between the powder particles in the compact into metallurgical bonds which provide the primary functional properties of the part. [Pg.178]

To proceed with the proof, we first state a property of the Bardeen integral If both functions involved, i i and x> satisfy the same Schrodinger equation in a region fi, then the Bardeen integral J on the surface enclosing a closed volume w within fl vanishes. Actually, using Green s theorem, Eq. (3.2) becomes... [Pg.84]

Existence and uniqueness of solutions to the b.v.p. analogous to (2.2.1) has been proved in numerous contexts (see, e.g., [2]—[6]) and can be easily inferred for (2.2.1). We shall not do it here. Instead we shall assume the existence and uniqueness for (2.2.1) and similar formulations and, based on this assumption, we shall discuss some simple properties of the appropriate solutions. These properties will follow from those of the solution of the one-dimensional Poisson-Boltzmann equation, combined with two elementary comparison theorems for the nonlinear Poisson equation. These theorems follow from the Green s function representation for the solution of the nonlinear Poisson equation with a monotonic right-hand side (or from the maximum principle arguments [20]) and may be stated as follows. [Pg.26]

In this context, Greene and coworkers [159, 160] have reported the first low-molecular-mass immunoglobulin mimetic 207, Scheme 62, developed on the basis of an X-ray structure analysis of the antigen-antibody complex. Compound 207 is resistant toward proteases and imitates the binding and functional properties of the native antibody. [Pg.249]

Let us discuss briefly properties of the condensate matrix function /. According to the definitions of the Green s functions g the functions fa(x) are related to following correlation functions... [Pg.232]


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