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Ortiz Quantum Chemistry Group

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[J. V. Ortiz]

J. V. Ortiz
Ruth W. Molette Professor
Department of Chemistry and Biochemistry
Auburn University
Auburn AL 36849-5312
U. S. A.

Telephone:  (334) 844-6998
Fax:  (334) 844-6959
E-Mail:  ortiz at

Chemical bonding in its myriad forms is a manifestation of quantum mechanical principles. We strive to discover the deductive links between these few, but subtle, principles and the infinite variety of structures, spectra, and properties exhibited by molecular matter. There are four stages of this research: derivation, implementation, application, and analysis. In the first two, mathematical and computational tools are developed for efficient and accurate calculations. Applications emphasize interpretation of experimental problems through prediction of molecular observables. Analytical techniques founded on the mathematical structures of the first stage reveal conceptual connections between observables in terms of simplified models. In each stage, we employ propagator concepts and methods, especially those of electron propagator theory, for they stress direct, rigorous calculation of observables and succinct expression of model systems.

Last updated  6 January 2023