Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Effective coupling function systems

According to Eq. (5.52), the function f t g,fo) is an invariant of a renormalization procedure, in the course of which the generalized time is divided into tjx steps, each of length, x, the bare coupHng parameter is replaced by its effective counterpart and the initial value of the function at t = 1 is replaced with the function evaluated at the new scale length x. In the limit g( = 0 the conservation equation (5.52) must reduce to the corresponding equation (5.6), appropriate to the ideal system. Therefore, the effective coupling function must satisfy the condition g t 0) = 0, Vt. [Pg.282]

While the functional equations (5.61) and (5.65), are very well suited to the above mentioned, iterative method for determining the (generalized) time evolution of the dynamic system f(t, g,fo), most presentations of the RG method have instead used an approach based on differential equations. These differential equations can be written directly as equations of evolution for the object function Sf t g) and the related effective coupling function g(t g) [3-5,16] or as a pair of partial differential equations known as the Callan-Symanzik equations [3-5,17]. These three forms of the RG theory are essentially equivalent. However, we personally favor the functional equation approach, not only from a computational point of view but because it provides better insight into the workings of the postulates of the self-similarity based RG technique. [Pg.289]

The pair of Lie equations (5.84) and (5.87) govern the evolution of the dynamical system 6f t g). As we previously have emphasized, the effective coupling function must be determined self-consistently, as a function of Sf. This critical step in the procedure is accomplished by expressing the generator P g) as the following functional of the object function df ... [Pg.290]

In this review we discuss the theoretical frame which may serve as a basis for a DFT formulation of solvent effects for atoms and molecules embedded in polar liquid environments. The emphasis is focused on the calculation of solvation energies in the context of the RF model, including the derivation of an effective energy functional for the atomic and molecular systems coupled to an electrostatic external field. [Pg.83]

Finally, cross-decoherence can be understood from the spectral-domain analysis as the coupling of two systems via common bath modes, that is, Eq. (4.203) is the overlap of three functions, namely, cross-coupling spectrum and the individual modulation spectra of the two systems. For example, if two systems couple to different modes, then in the absence of modulations, they will not experience any cross-decoherence. Hence, in order to impose cross-decoherence, one should modulate the systems in such a way that they effectively couple to the same modes with the same strength. On the other hand, if one wishes to eliminate cross-decoherence, one should apply local modulations, such that the modulation spectra have different peaks, which would result in the two systems coupling to different modes and thus experiencing no cross-decoherence. [Pg.206]

In a coupled spin system, the condition that vectors having distinctive frequencies and those can be assigned to each nucleus fails. Further, the coupling inherently means that the frequency of the observed nucleus depends not only on its own environment but also on the state of the neighbouring nuclei as well. Thus the product functions are introduced to take into consideration the perturbation effect of the neighbouring nuclei... [Pg.191]

The construction of the LD theory of the ligand influence evolves in terms of two key objects the electron-vibration (vibronic) interaction operator and the substitution operator. The vibronic interaction in the present context is the formal expression for the effect of the system Hamiltonian (Fockian) dependence on the molecular geometry taken in the lower - linear approximation with respect to geometry variations. It describes coupling between the electronic wave function (or electron density) and molecular geometry. [Pg.301]

Receptor for Membrane function/system affected Effect Coupling protein involved Examples of target cell(s)/organ(s)... [Pg.2]

Homonuclear Hartmann-Hahn transfer functions for off-resonant CW irradiation have been derived for two coupled spins 1 /2 (Bazzo and Boyd, 1987 Bothner-By and Shukla, 1988 Elbayed and Canet, 1990) and for the AX 2 spin system (Chandrakumar et al., 1990). In the multitilted frame, Hartmann-Hahn transfer functions under mismatched effective fields are related to polarization- and coherence-transfer functions in strongly coupled spin systems (Kay and McClung, 1988 McClung and Nakashima, 1988 Nakai and McDowell, 1993). Numerical simulations of homonuclear... [Pg.122]

Here, Tda is the tunneling matrix element between the donor (D) and acceptor (A) wave functions and (FC) is the Franck-Condon-weighted density of states. This is a description appropriate for an effective two-level system [3, 4, 5] with weak coupling... [Pg.187]

Autschbach and Ziegler presented relativistic spin-spin coupling constants based on the two-component ZORA formulation. They published four papers. In the first paper of their series, only the scalar relativistic part was included, and a full inclusion of the ZORA effects was implemented in the second paper. They used the density functional theory (DFT) approach. The first paper showed that scalar relativistic calculations are able to reproduce major parts of the relativistic effects on the one-bond metal-ligand couplings of systems containing Pt, Hg and Pb. It was found that the... [Pg.126]


See other pages where Effective coupling function systems is mentioned: [Pg.294]    [Pg.310]    [Pg.252]    [Pg.771]    [Pg.109]    [Pg.36]    [Pg.100]    [Pg.272]    [Pg.149]    [Pg.316]    [Pg.66]    [Pg.357]    [Pg.1]    [Pg.140]    [Pg.205]    [Pg.47]    [Pg.64]    [Pg.37]    [Pg.49]    [Pg.105]    [Pg.76]    [Pg.83]    [Pg.386]    [Pg.488]    [Pg.494]    [Pg.176]    [Pg.57]    [Pg.137]    [Pg.82]    [Pg.143]    [Pg.174]    [Pg.204]    [Pg.489]    [Pg.130]    [Pg.134]    [Pg.202]    [Pg.723]    [Pg.297]    [Pg.127]   
See also in sourсe #XX -- [ Pg.282 ]




SEARCH



Coupled system

Couplings functions

Effective coupling

Effective coupling function

Effective functionality

Effects function

Functional systems

© 2024 chempedia.info