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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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2020

I. Ariyarathna, F. Pawłowski, J. V. Ortiz and E. Miliordos,* Aufbau principle for diffuse electrons of double–shell metal ammonia complexes: the case of M(NH3)4@12NH3, M = Li, Be+, B2+}, J. Phys. Chem. A 124, 505-12 (2020). Request reprint. DOI: 10.1021/acs.jpca.9b07734

F. Pawłowski and J. V. Ortiz,* Relativistic Electron Detachment Energies and Spin-Orbit Splittings from Quasiparticle Electron Propagator Calculations, Mol. Phys. 118, e1700314 (2020). Request reprint. DOI: 10.1080/00268976.2019.1700314

G. Liu, M. Díaz-Tinoco, S. M. Ciborowski, C. Martínez-Martínez, S. Lyapustina, J. H. Hendricks, J. V. Ortiz,* K. H. Bowen,* Excess Electrons Bound to H2S Trimer and Tetramer Clusters, PhysChemChemPhys 22, 3273-80 (2020). Request reprint. DOI: 10.1039/C9CP06872D

J. V. Ortiz,* Dyson-Orbital Concepts for Description of Electrons in Molecules, J. Chem. Phys. 153, 070902 (2020). Request reprint. DOI: 10.1063/5.0016472

J. V. Ortiz* and R. A. Zalik, Eigenvalues of Uncorrelated, Density-Difference Matrices and the Interpretation of Δ-Self-Consistent-Field Calculations, J. Chem. Phys. 153, 114122 (2020). Request reprint. DOI: 10.1063/5.0019542