Perturbation definition

This makes it desirable to define other representations in addition to the electronically adiabatic one [Eqs. (9)-(12)], in which the adiabatic electronic wave function basis set used in the Bom-Huang expansion (12) is replaced by another basis set of functions of the electronic coordinates. Such a different electronic basis set can be chosen so as to minimize the above mentioned gradient term. This term can initially be neglected in the solution of the / -electionic-state nuclear motion Schrodinger equation and reintroduced later using perturbative or other methods, if desired. This new basis set of electronic wave functions can also be made to depend parametrically, like their adiabatic counterparts, on the internal nuclear coordinates q that were defined after Eq. (8). This new electronic basis set is henceforth refened to as diabatic and, as is obvious, leads to an electronically diabatic representation that is not unique unlike the adiabatic one, which is unique by definition. 

A Perturbation Theory is developed for treating a system of n electrons in which the Hartree-Fock solution appears as the zero-order approximation. It is shown by this development that the first order correction for the energy and the charge density of the system is zero. The expression for the second order correction for the energy greatly simplifies because of the special property of the zero order solution. It is pointed out that the development of the higher order approximation involves only calculations based on a definite one-body problem. 

The operation involved in the definition of the EPI is an exchange of atoms on sites i and j and it is a kind of localized perturbation. So the orbital peeling method provides an efficient means for obtaining the generalized phase shifts. 

I wish to stress that the meaning of the word Hole here is different and far more general than in Many Body Perturbation Theory. Indeed, no specific reference state is required in this definition and the difference between the RO s and the HRO"s follows exclusively from the different order of the creator operators with respect to the annihilator operators in E and in E respectively. 

The E-state indices are atomic descriptors composed of an intrinsic state value I and a perturbation AI that measures the interactions with all other atoms in a molecule. The Kier-Hall electronegativity is the starting point in the definition of the intrinsic state of an atom, which encodes its potential for electronic interactions and its connectivity with adjacent atoms. The intrinsic state of an atom i is [19, 21] ... 

In our opinion, the interesting photoresponses described by Dvorak et al. were incorrectly interpreted by the spurious definition of the photoinduced charge transfer impedance [157]. Formally, the impedance under illumination is determined by the AC admittance under constant illumination associated with a sinusoidal potential perturbation, i.e., under short-circuit conditions. From a simple phenomenological model, the dynamics of photoinduced charge transfer affect the charge distribution across the interface, thus according to the frequency of potential perturbation, the time constants associated with the various rate constants can be obtained [156,159-163]. It can be concluded from the magnitude of the photoeffects observed in the systems studied by Dvorak et al., that the impedance of the system is mostly determined by the time constant. 

The perturbation operators must be modified in accordance with the new definition of the zeroth-order electron states ... 

According to Stuart A. Kauffman (1991) there is no generally accepted definition for the term complexity . However, there is consensus on certain properties of complex systems. One of these is deterministic chaos, which we have already mentioned. An ordered, non-linear dynamic system can undergo conversion to a chaotic state when slight, hardly noticeable perturbations act on it. Even very small differences in the initial conditions of complex systems can lead to great differences in the development of the system. Thus, the theory of complex systems no longer uses the well-known cause and effect principle. 

Apart from inversions, there is another way to determine whether or not there is mixing in the Sun. Any spherically symmetric, localized sharp feature or discontinuity in the Sun s internal structure leaves a definite signature on the solar p-mode frequencies. Gough (1990) showed that changes of this type contribute a characteristic oscillatory component to the frequencies z/ / of those modes which penetrate below the localized perturbation. The amplitude of the oscillations increases with increasing severity of the discontinuity, and the wavelength of the oscillation is essentially the acoustic depth of the sharp-feature. Solar modes... 

The first term in expression (4.2.38) for T has a simple physical meaning it sums the perturbed leaving rates from each level of the subsystem taking into account the equilibrium probabilities for their occupation. On the other hand, the second term depends on the unperturbed rates for transitions between states of the subsystem and is inversely proportional to them by virtue of the definition of... 

By the very definition of the GF, the real parts of the poles of its frequency Fourier component correspond to natural frequencies of the system (see, for example, Eqs. (A1.23) or (A1.55)). Consequently, the spectrum of natural frequencies of the perturbed system, cop, should fit the equation... 

Perturbative reasoning can be used to justify conceptual models of chemistry that are far from evident in Eq. (1.1) itself. An important example is the concept of molecular structure - the notion that nuclei assume a definite equilibrium configuration R0, which determines the spatial shape and symmetry of the molecule. At first glance, this concept appears to have no intrinsic meaning in Eq. (El),... 

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