J. V. Ortiz - Faculty - Chemistry and Biochemistry - College of Sciences and Mathematics

J. V. Ortiz - Faculty - Chemistry and Biochemistry - College of Sciences and Mathematics
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Chemistry and Biochemistry Faculty
Vincent Ortiz
Department of Chemistry and Biochemistry
Professor Emeritus
Research Areas:
Physical
Office:
119 Extension Hall
179 Chemistry Building
Auburn, AL 36849-5312
Phone:
(334) 844-6998
Fax:
(334) 844-6959
Email:
ortiz@auburn.edu
Research Page
Education
University of Florida, Ph.D.
1981
Harvard University, Postdoctoral Research Fellow
1981-1982
Cornell University, Postdoctoral Research Fellow
1982-1983
Professional Employment
Ruth W. Molette Professor, Department of Chemistry and Biochemistry, Auburn University
2006- present
Chairman, Department of Chemistry and Biochemistry, Auburn University
2006- 2014
University Distinguished Professor, Department of Chemistry, Kansas State University
2004-2006
Professor, Kansas State University
1996- 2004
Professor, University of New Mexico
1994- 1996
Visiting Associate Professor, University of Utah
1993
Visiting Associate Professor, University of Florida
1992
Associate Professor, University of New Mexico
1989- 1994
Assistant Professor, University of New Mexico
1983-1989
Post-doctoral Fellow, Cornell University
1982- 1983
Research Fellow, Harvard University
1981- 1982
Honors and Awards
Fellow, American Chemical Society
2019
Fellow, American Association for the Advancement of Science
2017
Charles H. Stone Award of the Carolina-Piedmont Section of the American Chemical Society for the most outstanding chemist in the southeastern United States
2014
Faculty Research Award of the College of Sciences and Mathematics
2014-5
Stanley C. Israel Regional Award for Advancing Diversity in the Chemical Sciences, Southeast Region, Committee on Minority Affairs, American Chemical Society
2014
President's Award, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers
2012
Visiting Professor, Indian Institute of Technology, Bombay
2008
Phi Beta Kappa, Kansas State University
2005
Visiting Investigator, University of Valladolid, Spain
2003
Japan Society for Promotion of Science Fellow
2002
Commerce Bank Distinguished Graduate Faculty Award
2002
Honoree, Honoring Excellence at UNM
1995
American Men and Women of Science
1994
Who's Who: America 2006, American Education 2005, Sciences Higher Education 2004, West 1994, Science and Engineering 1993
Associated Western Universities Fellowship
1991
Research Associateship, Senior Level, Navy/American Society for Engineering Education
1987
Research Associateship, Basic Level, Navy/American Society for Engineering Education
1987
Phi Kappa Phi, University of Florida
1974
New York State Regents Scholar
1973
Professional Activities
Executive Board, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, 2016 - 2019
Chairman-elect, Chairman and Past-Chairman, Auburn Local Section of the American Chemical Society, 2016-8
Chairman, External Research Advisory Panel, Morgan State University, 2014 - present
Advisor, Auburn student chapter of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, 2008 - present
Research and Teaching Interests
Physical Chemistry:  Molecular electronic structure theory
Quantum chemistry is the application of quantum mechanics to problems of molecular structure, energetics, properties and spectra. Computers and quantum theory often provide information on molecules and ions that complements experimental data. Advances in theory and computational technology have made quantum chemistry into an indispensable component of modern chemical research. For this reason, chemists with theoretical and computational skills now work in a variety of industrial, government, and academic settings.
Students in the Ortiz group learn the methods of quantum chemistry and acquire many computational skills. Close collaboration with senior members of the group and ample facilities enable new students to gain experience rapidly. Creativity is developed by encouraging independently formulated projects. Depending on the interests and talents of the student, dissertation research may emphasize any of the following areas.
Applications of quantum chemistry to problems of structure, bonding and spectra
Electron binding energies of DNA and RNA fragments: radiation damage and charge transport
Double-Rydberg anions: new patterns of diffuse electronic distribution
Solvated-electron precursors: Aufbau principles for diffuse electrons
Cluster anions: fullerenes, boranes and carboranes
Anion-molecule complexes: solvent effects on basicity
Superhalogens and superalkalis
Carbon cluster polyanions: principles of construction
Metal-carbon clusters: principles of ligand binding
Aluminum-oxygen clusters: models of oxide-metal interfaces
Polysilanes: relationships between conformation and spectra
Programming of improved algorithms
Direct methods for large molecule calculations
Symmetry adaptation
Derivation of new theory
Electron propagator theory of ionization energies and electron affinities
Gradient techniques for adiabatic electron binding energies, vibrational structure in photoionization spectra
Renormalized reference states for bond dissociation, biradicals, transition-metal complexes
Higher operator manifolds for complex, shakeup processes in photoelectron spectra
Dyson orbitals for photoionization intensities, electron scattering processes
Dyson orbital analysis of ground state energies
Analysis of effective electron density differences pertaining to ionization
Two-electron propagator theory of electron-pair binding energies
Double ionization energies and Auger spectra
Double electron affinities and charge-inversion mass spectrometry
Interpretation of Dyson geminals and electron correlation
Polarization propagator theory of excitation energies and response properties
Gradient techniques for the random phase approximation and its perturbative extensions
Analysis of effective electron density differences pertaining to excitation
Benzo[a]pyrene and the Feynman-Dyson amplitudes for its lowest ionization energy.
Selected Publications
Díaz-Tinoco, M.; Ortiz, J. V. "
Double Rydberg Anions with Solvated Ammonium Kernels: Electron Binding Energies and Dyson Orbitals"
, J. Chem. Phys.
2019
151
, 054301.
Díaz-Tinoco, M.; Corzo, H. H.; Ortiz, J. V. "
Electron-Propagator Methods for Vertical Electron-Detachment Energies of Anions: Benchmarks and Case Studies"
, J. Chem. Theory Comp.
2018
14
, 5881.
Corzo, H. H.; Ortiz, J. V., "
Electron Propagator Theory: Foundations and Predictions"
, Adv. Quantum Chem.
2017
74
, 267-98.
Ortiz, J.V. "
Interpreting Bonding and Spectra with Correlated, One-Electron Concepts from Electron Propagator Theory"
, in
Ann. Rev. Comput. Chem.
2017
, 13
, 139, D. A. Dixon, ed., Elsevier, United Kingdom.
Díaz-Tinoco, M.; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. "
Composite Electron Propagator Methods for Calculating Ionization Energies
", J. Chem. Phys.
2016
144
, 224110.
06/28/2023