68 Publications (Page 1 of 3)
2024
New-Generation Electron-Propagator Methods for Molecular Electron-Binding Energies. The Journal of Physical Chemistry A
. | Journal Article
 
Ultrafast Excited State Dynamics of a Verdazyl Diradical System. Photochem
. | Journal Article
2023
A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies. The Journal of Chemical Physics
. | Journal Article
 
Chapter 2 - Dyson orbitals and chemical bonding
Díaz-Tinoco, Manuel⋅Pawłowski, Filip and Ortiz, J. V.
(pp. 27–64). Elsevier
 
Correction to “Electron-Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies”
Opoku, Ernest⋅Pawłowski, Filip and Ortiz, J. V.
Journal of Chemical Theory and Computation, vol. 19, pp. 5648–5648. | Journal Article
 
Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers
Corzo, Hector H.⋅Hillers-Bendtsen, Andreas Erbs⋅Barnes, Ashleigh⋅Zamani, Abdulrahman Y.⋅Pawłowski, Filip⋅Olsen, Jeppe⋅Jørgensen, Poul⋅Mikkelsen, Kurt V. and Bykov, Dmytro
Frontiers in Chemistry, vol. 11. | Journal Article
 
Coupled cluster theory on modern heterogeneous supercomputers
Corzo, Hector H.⋅Hillers-Bendtsen, Andreas Erbs⋅Barnes, Ashleigh⋅Zamani, Abdulrahman Y.⋅Pawłowski, Filip⋅Olsen, Jeppe⋅Jørgensen, Poul⋅Mikkelsen, Kurt V. and Bykov, Dmytro
Frontiers in Chemistry, vol. 11. | Journal Article
 
Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides
Opoku, Ernest⋅Pawłowski, Filip and Ortiz, J. V.
The Journal of Physical Chemistry A. | Journal Article
 
Erratum: “A new generation of diagonal self-energies for the calculation of electron removal energies” [J. Chem. Phys 155, 204107 (2021)] The Journal of Chemical Physics
. | Journal Article
 
New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules. Journal of Chemical Theory and Computation
. | Journal Article
2022
Double Rydberg anions, Rydberg radicals and micro-solvated cations with ammonium–water kernels
Opoku, Ernest⋅Opoku, Ernest⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Ortiz, Joseph Vincent and Ortiz, Joseph V
Royal Society of Chemistry (RSC)
 
Electron Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies
Opoku, Ernest⋅Pawłowski, Filip and Ortiz, J. V.
American Chemical Society (ACS)
2021
A New Generation of Diagonal Self-Energies for the Calculation of Electron Removal Energies
Opoku, Ernest⋅Pawłowski, Filip and Ortiz, Joseph Vincent
AIP Publishing
 
Electron binding energies and Dyson orbitals of OnH2n+1+,0,− clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations. The Journal of Chemical Physics
 
Ionization Energies and Dyson Orbitals of the Iso-electronic SO2, O3, and S3 Molecules from Electron Propagator Calculations
Pawłowski, Filip and Ortiz, Joseph Vincent
(pp. 3664–3680). American Chemical Society (ACS)
2020
Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH3)4@12NH3, M = Li, Be\mathplus, B2\mathplus
Ariyarathna, Isuru R⋅Ariyarathna, Isuru R⋅Ariyarathna, Isuru R.⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Miliordos, Evangelos⋅Miliordos, Evangelos and Miliordos, Evangelos
(pp. 505–512). American Chemical Society (ACS)
 
Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations. Molecular Physics
2019
Cluster perturbation theory. II. Excitation energies for a coupled cluster target state. The Journal of Chemical Physics
 
Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies. The Journal of Chemical Physics
 
Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies. The Journal of Chemical Physics
 
Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties. The Journal of Chemical Physics
 
Cluster perturbation theory. V. Theoretical foundation for cluster linear target states. The Journal of Chemical Physics
 
Do Dyson Orbitals resemble canonical Hartree–Fock orbitals? Molecular Physics
 
Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH3)0,\pm6
Almeida, Nuno M. S⋅Almeida, Nuno M. S⋅Almeida, Nuno M. S.⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Miliordos, Evangelos⋅Miliordos, Evangelos and Miliordos, Evangelos
Royal Society of Chemistry (RSC)
2018
Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond
Ariyarathna, Isuru R.⋅Ariyarathna, Isuru R⋅Ariyarathna, Isuru R⋅Khan, Shahriar N⋅Khan, Shahriar N⋅Khan, Shahriar N.⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Miliordos, Evangelos⋅Miliordos, Evangelos and Miliordos, Evangelos
(pp. 84-88)