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  1. Electron-propagator methods versus experimental ionization energies

    Article • The Journal of Chemical Physics, February 2025, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz, Ernest Opoku

  2. Numerical analysis of the complete active-space extended Koopmans’s theorem

    Article • The Journal of Chemical Physics, September 2024, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz, Dr. Reza Hemmati

  3. A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies

    Article • The Journal of Chemical Physics, September 2023, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz, Ernest Opoku

  4. Electron binding energies and Dyson orbitals of OnH2n+1+,0,− clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations

    Article • The Journal of Chemical Physics, June 2021, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz, Ernest Opoku

  5. Eigenvalues of uncorrelated, density-difference matrices and the interpretation of Δ-self-consistent-field calculations

    Article • The Journal of Chemical Physics, September 2020, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz

  6. Dyson-orbital concepts for description of electrons in molecules

    Article • The Journal of Chemical Physics, August 2020, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz

  7. Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH3)4@12NH3, M = Li, Be+, B2+

    Article • The Journal of Physical Chemistry A, November 2019, American Chemical Society (ACS)

    Ruth W. Molette Professor Joseph Vincent Ortiz

  8. Diffuse Electron Pairs That Surround Acidic Ammonia Clusters

    Article • The Journal of Chemical Physics, August 2019, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz

  9. Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH3)0,±6

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Ruth W. Molette Professor Joseph Vincent Ortiz

  10. Do Dyson Orbitals resemble canonical Hartree–Fock orbitals?

    Article • Molecular Physics, October 2018, Taylor & Francis

    Ruth W. Molette Professor Joseph Vincent Ortiz

  11. Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies

    Article • Journal of Chemical Theory and Computation, September 2018, American Chemical Society (ACS)

    Ruth W. Molette Professor Joseph Vincent Ortiz

  12. Correction

    Article • Molecular Physics, September 2018, Taylor & Francis

    Ruth W. Molette Professor Joseph Vincent Ortiz

  13. Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Ruth W. Molette Professor Joseph Vincent Ortiz

  14. Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond

    Article • The Journal of Physical Chemistry Letters, December 2017, American Chemical Society (ACS)

    Ruth W. Molette Professor Joseph Vincent Ortiz

  15. Communication: Explicitly correlated formalism for second-order single-particle Green’s function

    Article • The Journal of Chemical Physics, September 2017, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz

  16. Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra

    Article • Journal of Chemical Theory and Computation, June 2017, American Chemical Society (ACS)

    Ruth W. Molette Professor Joseph Vincent Ortiz

  17. Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods

    Article • Journal of Chemical Theory and Computation, December 2016, American Chemical Society (ACS)

    Ruth W. Molette Professor Joseph Vincent Ortiz

  18. Comment on “Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands” [J. Chem. Phys. 140, 094301 (2014)]

    Article • The Journal of Chemical Physics, October 2016, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz

  19. Comment on: “Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1Anions” by Li et al.

    Article • ChemPhysChem, July 2016, Wiley

    Ruth W. Molette Professor Joseph Vincent Ortiz

  20. Composite electron propagator methods for calculating ionization energies

    Article • The Journal of Chemical Physics, June 2016, American Institute of Physics

    Ruth W. Molette Professor Joseph Vincent Ortiz