Joseph Vincent Ortiz, PhD

Joseph Vincent Ortiz, PhD

  • Ruth W. Molette Professor Emeritus
  • Chemistry and Biochemistry
    • (334) 844-6998
    jvo0001@auburn.edu
    119 Extension Hall
    Google Scholar
    LinkedIn
    Download CV
    Ortiz Quantum Chemistry Research

    J. V. Ortiz was born in Bethpage, New York, in 1956 and attended public schools in Plainview, New York. He earned a B.S. in chemistry with high honors from the University of Florida in 1976. He then joined the university’s Quantum Theory Project and completed his Ph.D. in chemistry in 1981 under the supervision of Yngve Öhrn, also earning a certificate in chemical physics.

    Following graduate school, Dr. Ortiz completed postdoctoral appointments with William Lipscomb at Harvard University and Roald Hoffmann at Cornell University. He then spent 13 years at the University of New Mexico before joining the Department of Chemistry at Kansas State University in December 1996. He was named a University Distinguished Professor in 2004.

    In August 2006, Dr. Ortiz joined Auburn University as the inaugural Ruth W. Molette Professor of Chemistry and Biochemistry and began serving as chair of the Department of Chemistry and Biochemistry. He completed his second four-year term as chair in August 2014. After retiring from teaching in 2023, he became the Ruth W. Molette Professor Emeritus.

    Dr. Ortiz has taught courses ranging from introductory chemistry for nontechnical majors to advanced quantum mechanics. He continues to lead a research group specializing in quantum chemistry, a field that uses computational methods, physical principles and mathematics to predict and explain the properties of atoms, molecules and solids.

    His group develops and programs new quantum-mechanical methods for calculating molecular spectra. A particular emphasis has been the development of ab initio propagator theories that combine rigorous many-body formalisms with chemically intuitive orbital concepts.

    Recent applications of this work have included molecules important to biochemistry, such as nucleotides and porphyrins; materials-science systems, including fullerenes, polysilanes and aluminum oxide clusters; gas-phase species with unusual electronic structures, such as double-Rydberg anions, multiply charged anions, diffusely bound anions and solvated-electron precursors; and small anions embedded in solvents.

    Professor Ortiz has published more than 260 papers in scientific journals and delivered more than 220 invited lectures. He is also among the authors of the widely used Gaussian quantum-chemistry software packages. He has served on the editorial boards of the Journal of Chemical Physics and the International Journal of Quantum Chemistry and has consulted for federal agencies, historically Black colleges and universities, Hispanic-serving institutions and private research organizations.

    His professional memberships include the American Chemical Society, American Physical Society, International Society for Theoretical Chemical Physics, World Association of Theoretically Oriented Chemists, American Association for the Advancement of Science, American Association of University Professors and National Organization for the Professional Advancement of Black Chemists and Chemical Engineers. In 2016, he was elected to a three-year term on the NOBCChE Executive Board as director-at-large.

    Selected Honors

    • Fellow, Japan Society for the Promotion of Science, 2002
    • Erwin W. Segebrecht Distinguished Faculty Achievement Award, 2001
    • Commerce Bank Distinguished Graduate Faculty Award, 2002
    • NOBCChE President’s Award, 2012 and 2023
    • Stanley C. Israel Regional Award for Advancing Diversity in the Chemical Sciences, American Chemical Society, 2014
    • Charles H. Stone Award, Carolina-Piedmont Section of the American Chemical Society, 2014
    • Faculty Research Award, Auburn University College of Sciences and Mathematics, 2014–2015
    • Faculty Service and Outreach Award, Auburn University College of Sciences and Mathematics, 2020–2021
    • Fellow, American Association for the Advancement of Science, 2017
    • Member, Sigma Xi, 2018
    • Fellow, American Chemical Society, 2019

    Education

    • BS in Chemistry with High Honors University of Florida 1976

    • PhD in Chemistry with Chemical Physics Certificate University of Florida 1981

    Professional Experience

    Ruth W. Molette Professor Emeritus
    Auburn University
    2023–Present

    Ruth W. Molette Professor
    Auburn University
    2006–2023

    Chair, Department of Chemistry and Biochemistry
    Auburn University
    2006–2014

    University Distinguished Professor
    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

    Postdoctoral Fellow
    Cornell University
    1982–1983

    Research Fellow
    Harvard University
    1981–1982

    Innovation

    Molecular orbital theory is a powerful conceptual tool for understanding molecular structure and bonding, but it does not fully account for electron correlation. Electron propagator theory provides a framework for systematically incorporating electron correlation into a one-electron description of molecular electronic structure.

    Electron propagator calculations produce Dyson orbitals and correlated electron-binding energies without requiring the calculation of wavefunctions and energies for individual many-electron states. Correlated electron-binding energies improve upon conventional molecular orbital energies, while Dyson orbitals, also known as Feynman–Dyson amplitudes, are correlated generalizations of molecular orbitals.

    Several approximate propagator methods provide accurate and efficient calculations of vertical and adiabatic electron-binding energies. Associating Dyson orbitals with electron-binding energies also supports interpretation of electronic structure through familiar one-electron concepts. Electron propagator theory therefore makes it possible to perform accurate, predictive calculations while retaining a useful qualitative picture of electronic structure.

    The Concepts and Techniques of Chemistry

    The concepts and techniques of chemistry change from one generation to the next. Computers and quantum theory now provide information about molecular structures and properties that often cannot be obtained experimentally. The range of possible applications continues to expand, and predictive studies of biologically significant molecules are now feasible using accurate ab initio methods. As a result, chemists with theoretical and computational expertise work in a variety of industrial, government and academic settings.

    Applications to Chemistry

    • Double-Rydberg anions
    • Solvated-electron precursors
    • Electron-induced proton transfer
    • Aufbau principles for diffuse electrons
    • Fullerene anions
    • Borane and carborane anions
    • Rydberg molecules
    • Superhalogens
    • Superalkalis
    • Nucleic acids
    • Polypeptides
    • Metalloporphyrins
    • Organometallic complexes
    • Multiply charged anions
    • Solvated anions
    • Metal, semiconductor and metal-oxide clusters

    Derivation and Programming of New Theory

    • Electron propagator theory of ionization energies and electron affinities
    • Propagator theory of electron-pair binding energies
    • Polarization propagator theory of excitation energies and response properties

    Engagement

    Executive Board Member
    National Organization for the Professional Advancement of Black Chemists and Chemical Engineers
    2016–2019

    Chair-Elect, Chair and Past Chair
    Auburn Local Section, American Chemical Society
    2016–2018

    Chair, External Research Advisory Panel
    Morgan State University
    2014–2017

    Faculty Advisor
    Auburn University Student Chapter, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers
    2008–2023

    Recent Presentations

    Recent Lectures and Posters at Meetings and Research Institutions

    2025

    • Numerical Tests of Ab Initio Dyson Self-Energies, poster presented at the Sanibel Symposium, Saint Augustine Beach, Florida, February 27, 2025.
    • New-Generation Electron-Propagator Concepts in Chemical Bonding Theory, Department of Chemistry Colloquium, Johns Hopkins University, Baltimore, Maryland, March 11, 2025.

    2024

    • A Balanced Life: The Calling of Chemistry, keynote address, American Chemical Society Auburn Local Section Meeting, Troy University, Troy, Alabama, February 23, 2024.
    • New-Generation Electron-Propagator Methods for Calculating Molecular Electron-Binding Energies and Dyson Orbitals, Sanibel Symposium, Saint Augustine Beach, Florida, February 27, 2024.
    • New-Generation Electron-Propagator Methods for Calculations of Molecular Electron-Binding Energies and Dyson Orbitals, Southeast Theoretical Chemistry Meeting, Blacksburg, Virginia, May 17, 2024.

    2023

    • A New Generation of Electron-Propagator Self-Energies for Calculations on Anions: Benchmarks and Applications to Nucleotides, poster presented at the Sanibel Symposium, Saint Augustine Beach, Florida, February 13, 2023.
    • The Chemistry of Electron Binding Energies and Their Dyson Orbitals, Knight Lecture, Department of Chemistry, University of Akron, Akron, Ohio, April 4, 2023.
    • What Are the Electrons Doing in Molecules?, Knight Lecture for general audiences, University of Akron, Akron, Ohio, April 5, 2023.
    • The Chemistry of Electron Binding Energies and Their Dyson Orbitals, Physical Chemistry Seminar, Department of Chemistry, University of Florida, Gainesville, Florida, September 26, 2023.

    2022

    • A New Generation of Diagonal and Nondiagonal Self-Energies for the Calculation of Electron-Removal Energies, poster presented at the Sanibel Symposium, Saint Simons, Georgia, February 17, 2022.
    • Métodos Novedosos Para Calcular e Interpretar Energías de Ionización, Electroafinidades y Orbitales de Dyson con Aplicaciones a los Aniones Doble Rydberg, Chemistry Department Seminar, Metropolitan Autonomous University, Iztapalapa, Mexico City, May 4, 2022.
    • Electron-Propagator Self-Energies Versus Improved GW100 Vertical Ionization Energies, Tenth Triennial Conference on Molecular Quantum Mechanics, Blacksburg, Virginia, July 2, 2022.
    • Electron-Propagator, Extended-Koopmans-Theorem and Self-Consistent-Field Approaches to the Interpretation and Prediction of Electron-Binding Energies, contributed lecture, American Chemical Society National Meeting, Chicago, Illinois, August 23, 2022.
    • Electron-Propagator, Extended-Koopmans and Self-Consistent-Field Perspectives on Electron-Binding Energies, Sixth International Conference on Molecular Electronic Structure, Monastir, Tunisia, September 5, 2002.

    2021

    • Efficient Prediction of Electron-Binding Energies with Quasiparticle Self-Energies: From Finite-Order to GW to Renormalized Electron-Propagator Methods, contributed lecture, American Chemical Society National Meeting, Atlanta, Georgia, August 25, 2021.

    2020

    • Dyson Orbitals: Fundamental Units of Electronic Structure and Chemical Interpretation, contributed lecture, Sanibel Symposium, Saint Simons, Georgia, February 19, 2020.
    • Correlated, One-Electron Theories of Chemical Bonding and Spectra: Applications to Exotic Anions, Chemistry and Chemical Biology Seminar, University of California, Merced, February 28, 2020.
    • Introduction to Quantum Chemistry, Molecular Sciences Software Institute Seminar, online workshop, July 20, 2020.
    • Correlated, One-Electron Theories of Chemical Bonding and Spectra: Applications to Exotic Anions, Molecular Sciences Software Institute Seminar, online workshop, July 21, 2020.
    • Dyson-Orbital Concepts in the Exploration of Chemical Bonding, Department of Chemistry Seminar, Syracuse University, online seminar, October 13, 2020.

    2019

    • Rydberg Anions, Solvated-Electron Precursors and Their Dyson Orbitals, American Chemical Society National Meeting, Orlando, Florida, March 31, 2019.
    • Rydberg Anions, Solvated-Electron Precursors and Their Dyson Orbitals, Current Topics in Theoretical Chemistry, Universidad San Francisco de Quito, Cumbayá, Quito, Ecuador, July 4, 2019.
    • Diffuse and Magnetic Dyson Orbitals in the Rydberg Anions and Solvated-Electron Precursors of Transition-Metal Chemistry, American Chemical Society National Meeting, San Diego, California, August 27, 2019.
    • Diffuse Dyson Orbitals in Rydberg Anions and Solvated-Electron Precursors, Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia, November 6, 2019.
    • Diffuse Dyson Orbitals in Rydberg Anions and Solvated-Electron Precursors, Department of Chemistry and Biochemistry, Hampton University, Hampton, Virginia, November 7, 2019.
    • Rydberg Anions, Solvated-Electron Precursors and Their Dyson Orbitals, contributed lecture, Annual Meeting of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Saint Louis, Missouri, November 18, 2019.

    2018

    • Electron Propagator Theory of Correlation-Bound Anions and Their Dyson Orbitals, Sanibel Symposium, Saint Simons, Georgia, February 20, 2018.
    • Diversity and Excellence: Advice for Department Chairmen, Symposium on How to Foster Diversity in the Chemical Sciences, Committee on Minority Affairs, American Chemical Society National Meeting, New Orleans, Louisiana, March 19, 2018.
    • Solvated-Electron Precursors and Their Dyson Orbitals, contributed lecture, Annual Meeting of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Orlando, Florida, September 18, 2018.
    • Toward Diversity and Excellence: Measures for Department Chairmen, Symposium on Diversity in the Chemical Enterprise, Southeast Regional Meeting of the American Chemical Society, Augusta, Georgia, November 2, 2018.

    2017

    • Electron Propagator Theory and Correlation-Bound Anions, poster presented at the Sanibel Symposium, Saint Simons, Georgia, February 21, 2017.
    • Electron Propagator Theory and Correlation-Bound Anions, contributed lecture, American Chemical Society National Meeting, San Francisco, California, April 5, 2017.
    • Ab Initio Electron Propagator Theory and Computational Applications, Connecticut Valley Quantum Chemistry Meeting, Wallingford, Connecticut, April 20, 2017.
    • Electron Propagator Theory, Dyson Orbitals and Correlation-Bound Anions, Chemistry Colloquium, Wesleyan University, Middletown, Connecticut, April 21, 2017.
    • Orbital Concepts, Propagator Methods and Novel Chemical Bonding in Anions, Science Gateways Community Institute Workshop, Jackson State University, Jackson, Mississippi, May 9, 2017.
    • Electron Propagator Theory, Dyson Orbitals and Correlation-Bound Anions, Materials After Dark Seminar, Advanced Materials Science and Engineering Center, Western Washington University, Bellingham, Washington, August 8, 2017.
    • Double Rydberg Anions and Their Dyson Orbitals, American Chemical Society National Meeting, Washington, D.C., August 24, 2017.
    • Double Rydberg Anions and Their Dyson Orbitals, Department Seminar, University of North Georgia, Gainesville, Georgia, October 13, 2017.
    • Double Rydberg Anions and Their Dyson Orbitals, contributed lecture, Annual Meeting of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Minneapolis, Minnesota, November 1, 2017.
    • Electron Propagator Theory, Dyson Orbitals and Correlation-Bound Anions, contributed lecture, Southeast Regional Meeting of the American Chemical Society, Charlotte, North Carolina, November 8, 2017.
    • Correlation-Bound Anions and Their Dyson Orbitals, Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November 10, 2017.

    2016

    • Efficient and Accurate Propagator Methods for Calculating Electron-Binding Energies, Sanibel Symposium, Saint Simons, Georgia, February 17, 2016.
    • Learning Chemical Principles from Electron Propagator Calculations, Alabama Agricultural and Mechanical University, Huntsville, Alabama, April 12, 2016.
    • Learning Chemical Principles from Electron Propagator Calculations, Oakwood University, Huntsville, Alabama, April 12, 2016.
    • Quantum Chemistry at Auburn University, National Organization for the Professional Advancement of Black Chemists and Chemical Engineers Joint Annual Southeast–Southwest Regional Meeting, Baton Rouge, Louisiana, April 22, 2016.
    • Foundations and Applications of Orbital Concepts in the Dyson Quasiparticle Equation, Southeast Theoretical Chemistry Association, Tallahassee, Florida, May 13, 2016.
    • Ab Initio Propagator Studies of the Electronic Structure of Diffuse and Valence Anions: From Fullerenes to Double Rydbergs, contributed lecture, American Chemical Society National Meeting, Philadelphia, Pennsylvania, August 22, 2016.
    • Learning Chemical Principles from Electron Propagator Calculations, University of Alabama, Huntsville, Alabama, August 26, 2016.
    • Ab Initio Propagator Studies of P–N Cluster, Superhalogen and Double-Rydberg Anions, Southeastern Regional Meeting of the American Chemical Society, Columbia, South Carolina, October 26, 2016.
    • Designing Superhalogens: Insights and Predictions from Electron Propagator Theory, contributed lecture, Annual Meeting of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Raleigh, North Carolina, November 11, 2016.
    • Los Orbitales de Dyson y la Estructura Electrónica de Aniones Exóticos, XV Reunión Mexicana de Fisicoquímica Teórica, Mérida, Yucatán, Mexico, November 18, 2016.

    2015

    • Accurate and Efficient Propagator Methods for Calculating Electron-Binding Energies of Large Molecules: Applications to Fullerenes and Other Large Acceptors, contributed lecture, American Chemical Society National Meeting, Denver, Colorado, March 22, 2015.
    • Orbital Concepts in Chemical Discovery, College of Sciences and Mathematics Research Awards Ceremony, Auburn University, Auburn, Alabama, April 1, 2015.
    • Calculating Electron-Binding Energies and Dyson Orbitals with Ab Initio Propagator Methods, Ionisation Master Class, National Service for Computational Chemistry Software, Imperial College London, United Kingdom, April 14, 2015.
    • Introduction to Electron Propagator Theory, Department of Chemistry, University of Illinois, Urbana, Illinois, May 5, 2015.
    • Calculating Electron-Binding Energies and Dyson Orbitals with Ab Initio Propagator Methods, Department of Chemistry, University of Illinois, Urbana, Illinois, May 7, 2015.
    • Five Aspects of Theoretical Chemistry, Southeast Theoretical Chemistry Association, Orlando, Florida, May 15, 2015.
    • Ground and Excited States of Three-Dimensional Carbon and Boron Clusters from P3+ and NR2 Electron Propagator Theory, International Conference on Chemical Bonding, Lihue, Hawaii, July 6, 2015.
    • Electron Propagator Theory: Concepts and Calculations, Gaussian, Inc., Wallingford, Connecticut, July 17, 2015.
    • Electron Affinities and Dyson Orbitals of Large Acceptor Molecules, XXIV International Materials Research Congress, Cancún, Mexico, August 22, 2015.
    • Ground and Excited States of Three-Dimensional Carbon and Boron Clusters from P3+ and NR2 Electron Propagator Calculations, contributed lecture, Annual Meeting of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers, Orlando, Florida, September 24, 2015.
    • Dyson Orbitals and New Kinds of Chemical Bonding, Department of Chemistry and Biochemistry Seminar, James Madison University, Harrisonburg, Virginia, October 16, 2015.
    • Electron Propagator Calculations on Carbon and Boron Clusters, Theoretical Chemistry Seminar, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Mexico City, Mexico, November 25, 2015.
    • Assignments of Ground and Excited States of Three-Dimensional Carbon and Boron Clusters from P3+ and NR2 Electron-Propagator Theory, contributed lecture, Pacifichem 2015, International Chemical Congress of Pacific Basin Chemical Societies, Honolulu, Hawaii, December 15, 2015.

    2014

    • Versatility and Interpretability in Electron Propagator Theory, Sanibel Symposia, Saint Simons, Georgia, February 19, 2014.
    • Propagator Concepts for the Interpretation of Spectra, Energetics and Transport, Chemistry Department Seminar, Tulane University, New Orleans, Louisiana, March 31, 2014.
    • Propagator Concepts for the Interpretation of Spectra, Energetics and Transport, Physical–Analytical Chemistry Seminar, Texas A&M University, College Station, Texas, April 22, 2014.
    • Propagator Concepts for the Interpretation of Spectra, Energetics and Transport, deMon Developers’ Workshop, Los Cabos, Baja California Sur, Mexico, April 28, 2014.
    • Propagator Concepts and Their Application to Spectra, Energetics and Transport, Southeast Theoretical Chemistry Association, Atlanta, Georgia, May 16, 2014.
    • Dyson Orbitals and Electron-Binding Energies of Anionic Nucleic-Acid Fragments, Fullerenes and Macrocyclic Compounds, American Chemical Society National Meeting, San Francisco, California, August 10, 2014.
    • Understanding Chemical Bonding and Molecular Spectra with Electron Propagator Theory, Physics and Engineering Physics Department Seminar, Tulane University, New Orleans, Louisiana, September 24, 2014.
    • Electron-Binding Energies and Dyson Orbitals of Molecular Anions, Department of Chemistry, Johns Hopkins University, Baltimore, Maryland, October 1, 2014.
    • Orbital Concepts in Spectra, Energetics and Transport from Electron Propagator Theory, Tenth Triennial Congress of the World Association of Theoretical and Computational Chemists, Santiago, Chile, October 8, 2014.

    2013

    • Learning Chemical Principles from Electron Propagator Calculations, Chemistry Department Seminar, Jackson State University, Jackson, Mississippi, January 18, 2013.
    • Contrasting Patterns of Delocalization in the Dyson Orbitals of Aqueous Halides, poster presented at the Sanibel Symposia, Saint Simons Island, Georgia, February 20, 2013.
    • Concepts of Chemical Bonding from Electron Propagator Theory, Physical Chemistry Seminar, Indiana University, Bloomington, Indiana, April 11, 2013.
    • Chair, Organizing Committee, Southeast Theoretical Chemistry Association Meeting, Auburn, Alabama, May 9–11, 2013.

    2012

    • Electron Propagator Calculations on the Photoelectron Spectra of Aqueous Halides, poster presented at the Sanibel Symposia, Saint Simons Island, Georgia, February 22, 2012.
    • Prediction and Interpretation with Ab Initio Electron Propagator Theory, Union University, Jackson, Tennessee, April 13, 2012.
    • Concepts of Chemical Bonding from Electron Propagator Theory, Southeastern Theoretical Chemistry Association, Athens, Georgia, May 18, 2012.
    • Chemical Bonding, Dyson Orbitals and Electron Propagator Theory, Seventeenth International Workshop on Quantum Systems in Chemistry and Physics, Turku, Finland, August 22, 2012.
    • Concepts of Chemical Bonding from Electron Propagator Theory, Theory and Applications of Computational Chemistry 2012, Pavia, Italy, September 7, 2012.
    • Concepts of Chemical Bonding from Electron Propagator Theory, Seventh International Meeting on Photodynamics and Related Aspects, Maresias, São Paulo, Brazil, October 15, 2012.
    • Prediction and Interpretation with Ab Initio Electron Propagator Theory, Tuskegee University, Tuskegee, Alabama, October 24, 2012.

    2011

    • Correlation Effects in Electron Propagator Calculations on a Molecular Capacitor, poster presented at the Sanibel Symposia, Saint Simons Island, Georgia, February 26, 2011.
    • Prediction and Interpretation with Ab Initio Electron Propagator Theory, Tenth MERCURY Conference, Bucknell University, Lewisburg, Pennsylvania, July 30, 2011.
    • Prediction and Understanding in Quantum Chemistry, Department of Chemistry, Tokyo University of Science, Tokyo, Japan, September 10, 2011.
    • Concepts of Chemical Bonding from Electron Propagator Theory, Sixteenth International Workshop on Quantum Systems in Chemistry and Physics, Kanazawa, Japan, September 13, 2011.
    • Electron Propagators in Chemical Bonding Theory, Chemistry Department Seminar, Kanazawa University, Kanazawa, Japan, September 15, 2011.
    • Concepts of Chemical Bonding from Electron Propagator Theory, Twentieth Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, October 29, 2011.
    • Predicciones Ab Initio de Espectros Fotoelectrónicos e Interpretaciones Basadas en Orbitales de Dyson con el Propagador del Electrón, XXXVII Congreso de Químicos Teóricos de Expresión Latina, Riviera Maya, Quintana Roo, Mexico, December 8, 2011.

    2010

    • Consistent Ground States and Renormalizations in Ab Initio Propagator Theory of Molecules, Multidisciplinary Workshop on the Random-Phase Approximation, Université Pierre et Marie Curie, Paris, France, January 27, 2010.
    • Computing for Insight with Propagators, Sanibel Symposia, Saint Simons, Georgia, February 27, 2010.
    • Computing for Chemical Insight with Electron Propagators, Chemistry Department Seminar, Jackson State University, Jackson, Mississippi, April 9, 2010.
    • El Propagador del Electrón y los Dilemas de Mulliken y Hückel, Chemistry Department Seminar, Metropolitan Autonomous University, Iztapalapa, Mexico City, April 28, 2010.
    • Strong Correlation Effects in the Photoelectron Spectra of Fullerenes and Metallomacrocyclic Molecules, Theory of Atomic and Molecular Clusters Symposium VI, Mexico City, Mexico, June 16, 2010.
    • Electron Propagator Theory of Molecules: Bonding, Spectra, Transport, Oak Ridge National Laboratory, Oak Ridge, Tennessee, June 29, 2010.
    • Electron Propagator Theory of Molecules: Bonding, Spectra, Transport, Department of Physics, University of Tennessee, Knoxville, Tennessee, June 30, 2010.
    • Propagator Interpretations of Biomolecular Electron-Binding Energies, American Chemical Society National Meeting, Boston, Massachusetts, August 25, 2010.

    2009

    • Electron Propagator Theory: From Double Rydberg Anions to Large Molecules, poster presented at the Gordon Research Conference on Molecular Energy Transfer, Ventura, California, January 21, 2009.
    • Large Correlation Effects in Electron Propagator Calculations on Large Molecules, poster presented at the Sanibel Symposia, Saint Simons Island, Georgia, March 2, 2009.
    • Insights into Chemical Bonding from Electron Propagator Theory, Canadian Society for Chemistry Satellite Symposium on Atoms in Molecules in Honor of Richard F. W. Bader, Hamilton, Ontario, Canada, June 4, 2009.
    • Propagators, Spectra and Strong Correlation, American Chemical Society National Meeting, Washington, D.C., August 19, 2009.
    • Propagators, Spectra and Bonding Concepts, XXXIII International Workshop on Condensed Matter Theories, Quito, Ecuador, August 21, 2009.
    • Efectos Fuertes de la Correlación Electrónica en los Espectros Fotoelectrónicos de Moléculas Metalomacrocíclicas, VIII Reunión Mexicana de Fisicoquímica Teórica, Colima, Mexico, November 12, 2009.

    2008

    • The Electron Propagator Theory of Chemical Bonding, Department of Chemistry Seminar, Indian Institute of Technology Delhi, New Delhi, India, January 2, 2008.
    • Insights into Chemical Bonding from Electron Propagator Theory, Photoion, Photoionization and Photodetachment Gordon Research Conference, Il Ciocco, Italy, January 30, 2008.
    • Insights into Chemical Bonding from Electron Propagator Theory, Istituto per i Processi Chimico-Fisici, Consiglio Nazionale delle Ricerche, Pisa, Italy, February 1, 2008.
    • Quasiparticle Virtual Orbitals in Electron Propagator Calculations, poster presented at the Sanibel Symposia, Saint Simons Island, Georgia, February 25, 2008.
    • Progress Report on Computational Quantum Chemistry Research, 709 Armament Systems Squadron and Defense Threat Reduction Agency Chemical Agent/Simulant Brainstorm Session, Nuclear Weapons Center, Kirtland Air Force Base, New Mexico, March 14, 2008.
    • Versatile Self-Energies for the Calculation of Electron-Binding Energies and Dyson Orbitals, American Chemical Society National Meeting, New Orleans, Louisiana, April 10, 2008.
    • Propagators, Spectra and Bonding Concepts, Southeastern Theoretical Chemistry Association, Tuscaloosa, Alabama, May 16, 2008.
    • Tres Aproximaciones al Potencial de Correlación No Local y Dependiente de la Energía Dentro de la Teoría del Propagador del Electrón, XXXIV Congreso de Químicos Teóricos de Expresión Latina, Cetraro, Italy, July 5, 2008.
    • Efficient Propagator Methods for Calculations on Large Molecules, contributed lecture, American Chemical Society National Meeting, Philadelphia, Pennsylvania, August 21, 2008.
    • Mind Over Matter: The Ascent of Quantum Chemistry, Southwest Georgia Local Section of the American Chemical Society, Americus, Georgia, October 2, 2008.
    • Electron Propagator Interpretations of Chemical Bonding: From Nucleotides to Double Rydbergs, Physical Chemistry/Chemical Physics Colloquium, Department of Chemistry and Biochemistry, University of Colorado Boulder, Boulder, Colorado, October 10, 2008.
    • Tres Métodos Nuevos en la Teoría Ab Initio del Propagador del Electrón, II Congreso de Fisicoquímica Teórica y Computacional, Choroní, Venezuela, December 4, 2008.

    *Invited lecture unless otherwise indicated.

    Representative Publications

    Representative Publications

    1. Opoku, E., Pawłowski, F. and Ortiz, J. V. (2026). Green’s Function Methods: Theory and Applications for Ionization Potentials and Electron Affinities, in Handbook of Electronic Structure Theory: Methods and Applications, 139-66, V. Barone and M. Hochlaf, editors, Elsevier, Amsterdam.
    2. Opoku, E., Pawłowski, F. and Ortiz, J. V. (2025). Electron-Propagator Methods Versus Experimental Ionization Energies, Journal of Chemical Physics, 162, 064102.
    3. Opoku, E., Pawłowski, F. and Ortiz, J. V. (2024). New-generation electron-propagator methods for molecular electron-binding energies. Journal of Physical Chemistry A, 128, 1399–1416.
    4. Opoku, E., Pawłowski, F. and Ortiz, J. V. (2023). A new generation of nondiagonal, renormalized self-energies for calculation of electron-removal energies, Journal of Chemical Physics, 159, 124109.
    5. Ortiz, J. V. (2022). Recent progress in electron-propagator, extended-Koopmans-theorem and self-consistent-field approaches to the interpretation and prediction of electron-binding energies. Advances in Quantum Chemistry, 85, 109–155.
    6. Opoku, E., Pawłowski, F. and Ortiz, J. V. (2021). A new generation of diagonal self-energies for the calculation of electron-removal energies. Journal of Chemical Physics, 155, 204107.
    7. Ortiz, J. V. (2020). Dyson-orbital concepts for the description of electrons in molecules. Journal of Chemical Physics, 153, 070902.
    8. Díaz-Tinoco, M. and Ortiz, J. V. (2019). Double-Rydberg anions with solvated ammonium kernels: Electron-binding energies and Dyson orbitals. Journal of Chemical Physics, 151, 054301.
    9. Díaz-Tinoco, M., Corzo, H. H. and Ortiz, J. V. (2018). Electron-propagator methods for vertical electron-detachment energies of anions: Benchmarks and case studies. Journal of Chemical Theory and Computation, 14, 5881–5895.
    10. Ortiz, J. V. (2017). Interpreting bonding and spectra with correlated, one-electron concepts from electron propagator theory. In Annual Reports in Computational Chemistry, 13, 139–182, D. A. Dixon, editor, Elsevier.
    11. Dolgounitcheva, O., Díaz-Tinoco, M., Zakrzewski, V. G., Richard, R. M., Marom, N., Sherrill, C. D. and Ortiz, J. V. (2016). Accurate ionization potentials and electron affinities of acceptor molecules IV: Electron-propagator methods. Journal of Chemical Theory and Computation, 12, 627–637.
    12. Corzo, H. H., Galano, A., Dolgounitcheva, O., Zakrzewski, V. G. and Ortiz, J. V. (2015). NR2 and P3+: Accurate, efficient electron-propagator methods for calculating valence vertical ionization energies of closed-shell molecules. Journal of Physical Chemistry A, 119, 8813–8821.