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Full-Text Articles in Physics
M + Ng Potential Energy Curves Including Spin-Orbit Coupling For M = K, Rb, Cs And Ng = He, Ne, Ar, Larry Aaron Blank, David E. Weeks, Gary S. Kedziora
M + Ng Potential Energy Curves Including Spin-Orbit Coupling For M = K, Rb, Cs And Ng = He, Ne, Ar, Larry Aaron Blank, David E. Weeks, Gary S. Kedziora
Faculty Publications
X2Σ+1/2 , A2Π1/2, A2Π3/2, and B2Σ+1/2 potential energy curves and associated dipole matrix elements are computed for M + Ng at the spin-orbit multi-reference configuration interaction level, where M = K, Rb, Cs and Ng = He, Ne, Ar. Dissociation energies and equilibrium positions for all minima are identified and corresponding vibrational energy levels are computed. Difference potentials are used together with the quasistatic approximation to estimate the position of satellite peaks of collisionally broadened D2 lines. The comparison of potential energy curves for …
Nonequilibrium Processes In Polymers Undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes, Alejandro Garcia, J. Pojman, D. Kondepudi, C. Van De Broeck
Nonequilibrium Processes In Polymers Undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes, Alejandro Garcia, J. Pojman, D. Kondepudi, C. Van De Broeck
Faculty Publications
A reactiodffusion system of polymers undergoing interchange reactions is studied. The equation that describes the dynamics of the system is similar to the Boltzmann equation for a gas of hard spheres. We consider a one-dimensionsl system in which the average length and the concentrations at the boundaries are fixed. The resulting steady states are obtained analytically and with numerical integration of equations obtained by using a local equilibrium approximation. Monte Carlo simulations of experimentally realizable conditions were performed and compared. The results reveal a nonlinear distribution of molecular concentration and mass. The entropy of the polymer distributions is calculated as …