NR2 and P3+: Accurate, efficient electron-propagator methods for calculating valence, vertical ionization energies of closed-shell molecules HH Corzo, A Galano, O Dolgounitcheva, VG Zakrzewski, JV Ortiz The Journal of Physical Chemistry A 119 (33), 8813-8821, 2015 | 61 | 2015 |
Advances in quantum chemistry HH Corzo, JV Ortiz, JR Sabin, EJ Brändas Löwdin Volume 74, 267-98, 2017 | 56 | 2017 |
Electron propagator theory: foundations and predictions HH Corzo, JV Ortiz Advances in Quantum Chemistry 74, 267-298, 2017 | 49 | 2017 |
Do Dyson orbitals resemble canonical Hartree–Fock orbitals? M Díaz–Tinoco, HH Corzo, F Pawłowski, JV Ortiz Molecular Physics 117 (17), 2275-2283, 2019 | 28 | 2019 |
Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes NK Mitra, R Meudom, HH Corzo, JD Gorden, BL Merner Journal of the American Chemical Society 138 (9), 3235-3240, 2016 | 28 | 2016 |
Electron propagator methods for vertical electron detachment energies of anions: Benchmarks and case studies M Díaz-Tinoco, HH Corzo, JV Ortiz Journal of Chemical Theory and Computation 14 (11), 5881-5895, 2018 | 23 | 2018 |
Localization–delocalization phenomena in a cyclic box HH Corzo, HG Laguna, RP Sagar Journal of Mathematical Chemistry 50, 233-248, 2012 | 23 | 2012 |
A Macrocyclic 1,4-Diketone Enables the Synthesis of a p-Phenylene Ring That Is More Strained than a Monomer Unit of [4]Cycloparaphenylene NK Mitra, HH Corzo, BL Merner Organic letters 18 (13), 3278-3281, 2016 | 16 | 2016 |
Using projection operators with maximum overlap methods to simplify challenging self‐consistent field optimization HH Corzo, A Abou Taka, A Pribram‐Jones, HP Hratchian Journal of Computational Chemistry 43 (6), 382-390, 2022 | 13 | 2022 |
Learning potentials of quantum systems using deep neural networks A Sehanobish, HH Corzo, O Kara, D van Dijk Proceedings of the AAAI 2021 Spring Symposium on Combining Artificial …, 2020 | 11 | 2020 |
Highly Strained para-phenylene-bridged macrocycles from unstrained 1, 4-diketo macrocycles NK Mitra, CP Merryman, BL Merner Synlett 28 (17), 2205-2211, 2017 | 11 | 2017 |
Photoelectron Spectra of Gd2O2– and Nonmonotonic Photon-Energy-Dependent Variations in Populations of Close-Lying Neutral States JL Mason, H Harb, AA Taka, AJ McMahon, CD Huizenga, H Corzo, ... The Journal of Physical Chemistry A 125 (3), 857-866, 2021 | 10 | 2021 |
Measuring localization-delocalization phenomena in a quantum corral HH Corzo, E Castaño, HG Laguna, RP Sagar Journal of Mathematical Chemistry 51, 179-193, 2013 | 10 | 2013 |
MgH Rydberg series: Transition energies from electron propagator theory and oscillator strengths from the molecular quantum defect orbital method HH Corzo, AM Velasco, C Lavín, JV Ortiz Journal of Quantitative Spectroscopy and Radiative Transfer 206, 323-327, 2018 | 9 | 2018 |
Numerical test of SAC-CI methods for calculating vertical ionization energies HH Corzo, JM Krosser, A Galano, JV Ortiz Theoretical Chemistry Accounts 135 (10), 236, 2016 | 9 | 2016 |
Electron propagators based on generalised density operators HH Corzo, JV Ortiz Molecular Physics 115 (5), 545-551, 2017 | 8 | 2017 |
Valence-Bound and Diffuse-Bound Anions of 5-Azauracil HH Corzo, O Dolgounitcheva, VG Zakrzewski, JV Ortiz The Journal of Physical Chemistry A 118 (34), 6908-6913, 2014 | 7 | 2014 |
New Photoelectron–Valence Electron Interactions Evident in the Photoelectron Spectrum of Gd2O– JL Mason, H Harb, A Abou Taka, CD Huizenga, HH Corzo, HP Hratchian, ... The Journal of Physical Chemistry A 125 (45), 9892-9903, 2021 | 6 | 2021 |
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations AE Hillers-Bendtsen, D Bykov, A Barnes, D Liakh, HH Corzo, J Olsen, ... The Journal of Chemical Physics 158 (14), 2023 | 5 | 2023 |
Learning Full Configuration Interaction Electron Correlations with Deep Learning HH Corzo, A Sehanobish, O Kara 35th Conference on Neural Information Processing Systems, Fourth Workshop on …, 2021 | 3 | 2021 |