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oai:www.ideals.illinois.edu:2142/77315 2023-07-11 col_2142_5131 col_2142_11615 com_2142_5130 com_2142_9130 com_2142_8903

Wolynes, Peter G. Cline, Raymond Eugene, Jr. 2015-05-13T15:39:29Z 2015-05-13T15:39:29Z 10000-01-01 1987 1987 Two stochastic dynamic models are used to study several aspects of curve crossing phenomena in dissipative systems. A surface hopping model is used to test the qualitative predictions of earlier theories. The simulation results agree well with the qualitative picture. Results are obtained for an alternate semiclassical model based on a vector spin representation which is derived via a variational principle. The vector model shows some differences in behavior as compared to the hopping model. In certain regimes the vector model shows chaotic behavior. A numerical path integral technique based upon a quasiclassical Langevin equation is presented for the calculation of quantum mechanical properties of a system coupled to a dissipative bath. Fully quantum mechanical results are obtained by decorating quasiclassical paths with quantum fluctuations. The use of Diophantine integration has been compared to Monte Carlo sampling of the fluctuation variables. Results are presented for several model systems. Made available in DSpace on 2015-05-13T15:39:29Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 8803004.PDF: 2776030 bytes, checksum: a9a9c6ed71de6ec5d5e1687722af4e2a (MD5) Previous issue date: 1987 Embargo set by: Seth Robbins for item 78526 Lift date: Forever Reason: Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs U of I Only 124 p. Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1987. http://hdl.handle.net/2142/77315 (UMI)AAI8803004 eng Chemistry, Physical Computational Studies in Chemical Quantum Physics text Chemical Engineering Chemical Engineering University of Illinois at Urbana-Champaign Dissertation Ph.D.