Pekar

S I Pekar, Untersuchungen uber die Elektronentheorie der Kristalle, Akademie-Verlag, Berlin, 1954... 

The general formulation of the numerical problem was as follows. PCB-153 was selected as a characteristic POP, which physical-chemical properties were used in the experiment. This is due to the fact that the properties of this indicator congener are often used for calculations of the long-range transport of PCB mixture (Pekar et al., 1998). Besides it was demonstrated that soil is the most important accumulating compartment in calculations of PCB transport. Physical-chemical properties of... 

Pekar, M, Pavlova, N. Erdman, L., Ilyin, I., Strukov, B., Gusev, A., Dutchak, S. (1998). Long-Range Transport of Persistant Organic Pollutants. Development of Transport Models for Undone, Polychlorinated Biphenyls, Benzo(a)pyrene. EMEP/MSCE-E Report 2/98. 

Received January 17, 1972. Work supported by grants GM 15551 and GM 17611, National Institutes of Health. It is based on the MS theses submitted by Allen H. Pekar (nonideal, sedimentation equilibrium experiments and Archibald method) and by Peter J. Wan (light scattering) to the Graduate School of the Illinois Institute of Technology. 

The Holstein model was preceded by the Pekar model [34] and in chemistry by the Marcus model [6]. In chemistry donor-acceptor systems are more frequent objects of study than conducting wires but the coupling between electronic and nuclear motion of similar nature. For example if the coupling is large a small nuclear displacement is sufficient to change the wave function much and in a way which corresponds to ET or EET. We use the effective, many-electron Hamiltonian H of eq.(4) and assume that it is solved for donor and acceptor, giving the energies Haa and Hdd, respectively. We use the new nuclear coordinates ... 

Liptak A, Pekar F, Janossy L, Jodal, Fiigedi P, Harangi J, Nan si P, Szejtli J (1979) Acta Chim Hung 99 201... 

Pekar, S. 1. 1954. Untersuchung uber die Electronen theorie der Kristalle. Berlin Academ.-Verlag. 

The theory of the multi-vibrational electron transitions based on the adiabatic representation for the wave functions of the initial and final states is the subject of this chapter. Then, the matrix element for radiationless multi-vibrational electron transition is the product of the electron matrix element and the nuclear element. The presented theory is devoted to the calculation of the nuclear component of the transition probability. The different calculation methods developed in the pioneer works of S.I. Pekar, Huang Kun and A. Rhys, M. Lax, R. Kubo and Y. Toyozawa will be described including the operator method, the method of the moments, and density matrix method. In the description of the high-temperature limit of the general formula for the rate constant, specifically Marcus s formula, the concept of reorganization energy is introduced. The application of the theory to electron transfer reactions in polar media is described. Finally, the adiabatic transitions are discussed. 

As stated above, expression (9) for the rate constant of transition in Einstein s crystal was first calculated analytically by the method of the straight search in the pioneer works of Pekar [1] and Kun and Rhys [2]. Their analytic expression remains till now the unique exact expression for multi-phonon transition probability in the time unit. Then, there appeared different methods that permit to derive the integral expressions for the rate constant in the general case of the phonon frequencies dispersion the operator calculation method [5], the method of generating polynomial [6], and the method of density matrix [7]. The detailed consideration of these methods was made in the Perlin s review [9],... 

The nonequilibrium equivalent of Equation (1.161) can be obtained using two alternative but equivalent schemes (often associated to the names of Pekar and Marcus). The two schemes are characterized by a different partition of the low and fast contributions of the apparent charges, namely we have [34] ... 

It is to be emphasized that the simple Pekar factor [40] (the dielectric prefactor in Equation (3.88) appears only when the image effects are absent (e.g., as in the case of a point charge at the center of a spherical cavity) or suppressed. In this limiting case, D may be taken as the solute vacuum field. On the other hand, both Equation (3.88) and (3.89) manifest the same assumption of additivity, whereby the nonequilibrium inertial free energy reflected in As is cast as the difference between two equilibrium solvation free energies (Gs) i.e., the optical (sx term) and the total (e0 term) solvation free energies... 

S. Pekar, Investigations of the Electronic Theory of Crystals (English translation), Moscow, 1951. 

Verhaert P, Conaway M, Pekar T, Miller K (2007) Neuropeptide imaging on an LTQ with vMALDI source the complete all-in-one peptidome analysis. Int J Mass Spectrom 260 177-184. doi 10.1016/j.ijms2006.11.008... 

The Stokes-Einstein relationship was used to express the diffusion coefficient through the viscosity of solvent D[cm2/s] = 0.894 x 10 5/r [cP]. All other parameters that change with viscosity, including Pekar s factor y, were borrowed or calculated from the same data sources [148]. They are listed in Table I. 

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