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Quantum Dynamical Simulation of Many Electron-Phonon Coupled Systems on Parallel Computers

Published online by Cambridge University Press:  01 January 1992

Aiichiro Nakano ,
Rajiv K. Kalia  and
Priya Vashishta
Aiichiro Nakano
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Department of Physics & Astronomy, and Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803-4001
Rajiv K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Department of Physics & Astronomy, and Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803-4001
Priya Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Department of Physics & Astronomy, and Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803-4001
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Abstract

A quantum dynamical simulation method is developed to investigate coupled many electron-phonon systems. Both electron and phonon wave functions are numerically propagated in time. The method is applied to the study of resonant tunneling of an electron through double quantum dots. Phonon-induced electron localization is observed. The space- splitting Schrödinger solver and dynamical-simulated-annealing Poisson solver are implemented on an 8,192-node MP-1 computer from MasPar.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 73
Copyright
Copyright © Materials Research Society 1993

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References

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