Published March 29, 2001
| public
Journal Article
Brief comments on perturbation theory of a nonsymmetric matrix: The GF matrix
- Creators
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Marcus, R. A.
Chicago
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Abstract
Perturbation theory for nonsymmetric matrices is discussed for the GF matrix for molecular vibrations. As a simple extension of early results, two approaches are given: one a direct diagonalization of the nonsymmetric matrix, the other a presymmetrization. Presymmetrization of the GF matrix, well known for ΔF, is also described here for ΔG. It permits the use of standard perturbation theory for symmetric matrices. Application of the second-order expression for the ΔG case to the determination of the frequencies of many ozone isotopomers is given elsewhere.
Additional Information
© 2001 American Chemical Society. Received: November 10, 2000; In Final Form: December 20, 2000. Published on Web February 10, 2001. It is a pleasure to acknowledge the support of the National Science Foundation. It is a pleasure to congratulate Bill Miller on the occasion of his 60th birthday. Bill's skill, insight, and mastery of mathematics and physics applied to chemical dynamics and collisions are a pleasure to behold and serve as a remarkable trademark of his work. There is perhaps also an added personal touch, in that these brief comments on GF perturbation theory deal with a tiny corner of the classic book by Bill's eminent mentor, E. Bright Wilson, Jr., whose contributions have been a source of stimulation to numerous researchers.Additional details
- Eprint ID
- 55815
- Resolver ID
- CaltechAUTHORS:20150316-145509289
- NSF
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2015-03-16Created from EPrint's datestamp field
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2021-11-10Created from EPrint's last_modified field