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Projection operator standard

Rather than solve this equation by standard techniques and develop the connection between rate coefficient and density, p, as originally done by Smoluchowski, Northrup and Hynes used projection operator techniques to obtain the probability that a reactant pair survives at a time t after formation, P t) = /drp(r, t) as usual. They found that the survival probability satisfies an equation (which is derived in Appendix D)... [Pg.246]

There exists another prescription to extend the hydrodynamical modes to intermediate wavenumbers which provides similar results for dense fluids. This was done by Kirkpatrick [10], who replaced the transport coefficients appearing in the generalized hydrodynamics by their wavenumber and frequency-dependent analogs. He used the standard projection operator technique to derive generalized hydrodynamic equations for the equilibrium time correlation functions in a hard-sphere fluid. In the short-time approximation the frequency dependence of the memory kernel vanishes. The final result is a... [Pg.78]

In the above expression, v = 1,2,..., oo labels the eigenvalues of L. (i, q (where i = 1,2,..., 5 labels the local equilibrium state) is operated from the left on Eq. (41), and standard projection operator technique [12] is used to obtain the following expression ... [Pg.85]

The normal mode displacements are sketched in Figure 9.4. The notation u, v for the degenerate pair of H symmetry and , //, ( for the T2 triplet is standard. Actually, these projections had already been done in Section 6.4, but this example has been worked in full here to illustrate the projection operator method of finding normal modes. [Pg.167]

We seek an expression for the flux operator by deriving an expression for the time variation of the position projection operator Pr, and compare the resulting equation with the standard continuity equation known in several branches of physics, for example, in fluid dynamics ... [Pg.351]

In variance with the standard formulation of the Schrodinger equation in terms of projection operators eq. (1.95) in the above Hartree-Fock equation for the projection... [Pg.48]

An alternative equivalent form of Hso has been proposed (40) that is more appropriate for use with a standard polyatomic integrals program that computes angular and radial integrals (41). It is derived by transforming the projection operators ljmy/ljm to a form involving only projection operators /m>spin operator s. The spin-orbit operator then becomes (40)... [Pg.153]

It is a standard exercise in projection operator techniques to rewrite the full Schrodinger equation... [Pg.10]

One standard approach to irreversibility is separation of the system s degrees of freedom into relevant and irrelevant ones. The latter are then assumed to provide a reservoir for the relevant system of interest, which acquires irreversibility by loosing information to the environment. This environment may for instance be a thermal bath or a series of continuous observations with results not accessible in the system of interest. Based on projection operators and operator partitioning this approach was introduced in Refs. [Nakajima 1958 Zwanzig 1960 Fano 1963]. For a survey of applications, see Ref. [Argyres 1966] and more recently also Ref. [Zwanzig 2001],... [Pg.250]

All manufacturing processes have a natural variability, through drift in machine settings, variable raw materials, variable operator standards, etc., and will therefore yield components which also vary. The quality project team, with the supplier, must assess the process capability of the component manufacturing process to ensure that it is capable of producing to the desired quality which always meets the customer s requirements. It is only to be expected that indifferent quality will result if the manufacturing process capability does not match the specification requirements. [Pg.77]

This valence model Hamiltonian contains high-order many-electron operators due to the presence of products of projection operators and would be clearly much too complicated for practical calculations. Moreover, no computational savings would result compared to a standard all-electron treatment, since the derivation given so far merely corresponds to a rewriting of the Fock equation for a valence orbital in a quite complicated form (eqns. 41 and 43). Actual reductions of the computational effort can be achieved only at the price of approximations, i.e., by the actual elimination of the core electron system and the simulation of its influence on the valence electrons by introducing a simplified valence-only model Hamiltonian containing the pseudopotential If higher than two-electron operators in eqn. 45 are omitted this corresponds to the formal substitutions ... [Pg.818]

We make frequent use of these now standard projection operator methods. Although no details are given, the various results are easily derived by application of the operator identity [z - A] = [z — A] -t-[z — A] A... [Pg.89]

The kinetic equations for these correlation functions then follow by application of standard projection operator techniques. We first introduce a projection operator onto these fields by... [Pg.112]

The standard methods of obtaining equations of motion for reduced systems are based on the projection-operator techniques developed by Zwanzig and Mori in the late 1950s [23,24]. In this approach one defines an operator, that acts on the full density matrix p to project out a direct product of cr and the thermalized equilibrium density matrix of the... [Pg.82]

The projection operator for a given irreducible representation, F, from standard group theory is given by ... [Pg.152]

In standard QM, the reversibility in time is a manifestation of a Hermifian (self-adjoint) system with stationary states and is reflected in the unitarity of the S-matrix. Unitarity entails the inclusion of the contribution of fime-reversed states. In other words, for a stationary state, invariance under time-reversal implies that if is a stationary wavefunction, then so is A major tool for deriving results in the framework of a Hermitian formalism, explicitly or implicitly, is the resolution of the identity operator, I, on the real axis, which is a Hermitian projection operator. [Pg.196]

There are a number of ways of finding these linear combinations (see also E.xample 7.5) and in this example we choose the projection operator method. Since = O X C,-, we need only work out the linear combinations for Bi, Bt, and Ei, in D. This is the standard procedure of reducing the computation by one-half. [Pg.286]

Projectors are characterized by an integer /c in a periodic interval. We may choose the range ]-A/2, +A/2] as the standard interval. The total number of integers in this interval is A. Keeping in mind the active view, where the rotation axis will rotate all the orbitals one step further in a counterclockwise way, we now act with the projection operator on the starting orbital, o)-... [Pg.86]


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See also in sourсe #XX -- [ Pg.76 ]




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