Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 3 of 3
Full-Text Articles in Physics
Dynamics Of Formation Of Soliton Conductivity In A 2 D-Array Of Linear Chains Containing Commensurate Charge Density Waves Near The Contact With A Normal Metal, Yuriy V. Pershin Dr, Alexander S. Rozhavsky
Dynamics Of Formation Of Soliton Conductivity In A 2 D-Array Of Linear Chains Containing Commensurate Charge Density Waves Near The Contact With A Normal Metal, Yuriy V. Pershin Dr, Alexander S. Rozhavsky
Faculty Publications
We make a numerical study of the conversion of conduction electrons into charge density wave (CDW) topological solitons at the interface between a normal metal and a 2D-array of the CDW-carrying linear chains. The interplay of commensurability potential, interchain interaction, and electric field on the dynamics of soliton formation is studied. When the interchain interaction exceeds the commensurability energy, the dynamic mechanism of creation of fractionally charged solitons near the contact is suppressed and specific contact nonlinearity in transport current is not observed.
Cumulative Reaction Probability In Terms Of Reactant-Product Wave Packet Correlation Functions, Sophya V. Garashchuk, D. J. Tannor
Cumulative Reaction Probability In Terms Of Reactant-Product Wave Packet Correlation Functions, Sophya V. Garashchuk, D. J. Tannor
Faculty Publications
We present new expressions for the cumulative reaction probability (N(E)), cast in terms of time-correlation functions of reactant and product wave packets. The derivation begins with a standard trace expression for the cumulative reaction probability, expressed in terms of the reactive scattering matrix elements in an asymptotic internal basis. By combining the property of invariance of the trace with a wave packet correlation function formulation of reactive scattering, we obtain an expression for N(E) in terms of the correlation matrices of incoming and outgoing wave packets which are arbitrary in the internal coordinates. This formulation, like other recent formulations of …
Semiclassical Calculation Of Cumulative Reaction Probabilities, Sophya V. Garashchuk, D. J. Tannor
Semiclassical Calculation Of Cumulative Reaction Probabilities, Sophya V. Garashchuk, D. J. Tannor
Faculty Publications
Calculation of chemical reaction rates lies at the very core of theoretical chemistry. The essential dynamical quantity which determines the reaction rate is the energy-dependent cumulative reaction probability, N(E), whose Boltzmann average gives the thermal rate constant, k(T). Converged quantum mechanical calculations of N(E) remain a challenge even for three- and four-atom systems, and a longstanding goal of theoreticians has been to calculate N(E) accurately and efficiently using semiclassical methods. In this article we present a variety of methods for achieving this goal, by combining semiclassical initial value …