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Proceedings Paper

Potential energy optimization and Monte Carlo simulations of the first hyperpolarizability: a comparative study
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Paper Abstract

We contrast two numerical approaches that are used to optimize the intrinsic hyperpolarizability: potential optimization and sum-rule-constrained Monte Carlo simulations. Our aim is to resolve inconsistencies between the two. We show that while the first method accurately reflects the properties of real physical systems, the second requires exotic hamiltonians that obey sum rules but may not represent a physical reality. Under certain extreme conditions, the sum-rule-constrained approach leads to systems that may not be representable by any Schrodinger Equation in differential equation form.

Paper Details

Date Published: 15 October 2012
PDF: 7 pages
Proc. SPIE 8519, Nanophotonics and Macrophotonics for Space Environments VI, 85190D (15 October 2012); doi: 10.1117/12.928873
Show Author Affiliations
Shoresh Shafei, Washington State Univ. (United States)
Mark G. Kuzyk, Washington State Univ. (United States)

Published in SPIE Proceedings Vol. 8519:
Nanophotonics and Macrophotonics for Space Environments VI
Edward W. Taylor; David A. Cardimona; Javier Pérez-Moreno; Nathan J. Dawson, Editor(s)

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