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Hyperpolarized Xenon for NMR and MRI Applications

Hyperpolarized Xenon for NMR and MRI Applications

Published on: September 6, 2012

Optimizing the hyperpolarizability tensor using external electromagnetic fields and nuclear placement.

David S Watkins¹, Mark G Kuzyk

¹Department of Mathematics, Washington State University, Pullman, Washington 99164-3113, USA. watkins@math.wsu.edu

The Journal of Chemical Physics

|August 21, 2009

Summary

This summary is machine-generated.

External electric and magnetic fields can optimize quantum system hyperpolarizability. Achieving universal properties like specific energy ratios and electron density is key for maximizing nonlinear optical response.

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Published on: May 27, 2020

Area of Science:

Quantum mechanics
Nonlinear optics
Materials science

Background:

Investigating the first hyperpolarizability tensor of quantum systems.
Understanding nonlinear response below the fundamental limit.

Purpose of the Study:

Examine external electric and magnetic field effects on hyperpolarizability.
Identify conditions for optimizing intrinsic hyperpolarizability.

Main Methods:

Theoretical investigation of quantum systems.
Analysis of nonlinear response under applied fields.

Main Results:

Hyperpolarizability optimized when fields match internal molecular fields.
Universal properties (three-level ansatz, transition moments, energy ratios, 1D electron density) identified for optimized diagonal hyperpolarizability.
Achieved intrinsic hyperpolarizability of 0.9 for beta(xxy) optimization with degenerate states.

Conclusions:

Strategies for hyperpolarizability optimization should target universal properties.
The largest hyperpolarizability calculated for a potential energy function system was achieved.