- About
- Selected Publications
Ruth W. Molette Professor of Chemistry and Chairman,
Department of Chemistry and Biochemistry, Auburn University, Alabama
Ph.D., University of Florida
Postdoctoral Research Fellow at Harvard University and Cornell University
Contributions to Gaussian: Partial Third-Order (P3); Outer Valence Green’s Function (OVGF); Nondiagonal, second-order renormalized (NR2) and Algebraic Diagrammatic Construction Third Order (ADC(3)) electron propagator self-energy approximations.
Research Interests
Employing propagator concepts and methods, especially those of electron propagator theory, for the direct, rigorous calculation of observables and succinct expression of model systems.
- V. G. Zakrzewski, O. Dolgounitcheva, A. V. Zakjevskii and J. V. Ortiz, “Ab initio Electron Propagator Calculations on Electron Detachment Energies of Fullerenes, Macrocyclic Molecules and Nucleotide Fragments”, Advances in Quantum Chemistry, 62 (2011) 105.
- R. Flores-Moreno, J. Melin, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz, “Three Approximations to the Nonlocal and Energy-Dependent Correlation Potential in Electron Propagator Theory”, Int. J. Quantum Chem. 110 (2010) 706.
- V. G. Zakrzewski, O. Dolgounitcheva, A. V. Zakjevskii and J. V. Ortiz, “Ab initio Electron Propagator Methods: Applications to Fullerenes and Nucleic Acid Fragments”, Ann. Rev. Comput. Chem. 6 (2010) 79.
- R. Flores-Moreno and J. V. Ortiz, “Efficient and Accurate Electron Propagator Methods and Algorithms”, in Practical Aspects of Computational Chemistry: Methods, Concepts and Applications, (Springer, Dordrecht, 2009) 18.
- R. Flores-Moreno and J. V. Ortiz, “Integral Approximations in Ab Initio, Electron Propagator Calculations”, J. Chem. Phys. 131 (2009) 124110.
- R. Flores-Moreno and J. V. Ortiz, “Quasi-particle Virtual Orbitals in Electron Propagator Calculations”, J. Chem. Phys. 128 (2008) 164105.
- T. Ida and J. V. Ortiz, “Second-order, two-electron Dyson propagator theory: Comparisons for vertical double ionization potentials”, J. Chem. Phys. 129 (2008) 084105.
- O. Dolgounitcheva, R. Flores-Moreno, V. G. Zakrzewski and J. V. Ortiz, “Virtual Space Reduction in Quasi-Particle Electron Propagator Calculations: Applications to Polycyclic Aromatic Hydrocarbons”, Int. J. Quant. Chem. 108 (2008) 2862.
- R. Flores-Moreno, V. G. Zakrzewski and J. V. Ortiz, “Assessment of Transition Operator Reference States in Electron Propagator Calculations”, J. Chem. Phys. 127 (2007) 134106.
- J. V. Ortiz, “An Efficient, Renormalized Self-Energy for Calculating the Electron Binding Energies of Closed-Shell Molecules and Anions”, Int. J. Quant. Chem. 105 (2005) 803.
- J. V. Ortiz, “Toward an Exact One-Electron Picture of Chemical Bonding,” Adv. in Quant. Chem., 35 (1999) 33.
- J. V. Ortiz, “Orbital and Shakeup Operator Renormalizations in Electron Propagator Theory,” J. Chem. Phys. 109 (1998) 5741.
- J. V. Ortiz, “A Nondiagonal, Renormalized Extension of Partial Third Order Quasiparticle Theory: Comparisons for Closed-Shell Ionization Energies,” J. Chem. Phys. 108, (1998) 1008.
- O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz, “Structure, Bonding and Energetics of C72- Isomers,” J. Chem. Phys. 109 (1998) 87.
- J. V. Ortiz, “The Electron Propagator Picture of Molecular Electronic Structure,” in Computational Chemistry: Reviews of Current Trends, 2 (World Scientific, Singapore, 1997) 1.
- J. V. Ortiz, V. G. Zakrzewski and O. Dolgounitcheva, “One-Electron Pictures of Electronic Structure: Propagator Calculations on Photoelectron Spectra of Aromatic Molecules,” in Conceptual Perspectives in Quantum Chemistry, 3 (Kluwer, Dordrecht, 1997) 465.
- M. Enlow, J. V. Ortiz and H. P. Luethi, “Tetrahedral Quadranionic Carbon Clusters,” Mol. Phys. 92 (1997) 441.
Last update: 14 August 2016
