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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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2017

H. H. Corzo and J. V. Ortiz*, Electron Propagator Theory: Foundations and Predictions, Adv. Quantum Chem. 74, 267-98 (2017).

H. H. Corzo and J. V. Ortiz*, Electron Propagators Based on Generalized Density Operators, Mol. Phys. 115, 545-51 (2017). Request reprint. DOI: 10.1080/00268976.2016.1221534

A. Velasco, C. Lavín, M. Díaz-Tinoco and J. V. Ortiz*, CaH Rydberg Series, Oscillator Strengths and Photoionization Cross Sections from Molecular Quantum Defect and Dyson Orbital Theories, J. Quant. Spectrosc. Radiat. Transf. 187, 161-6 (2017). Request reprint. DOI: 10.1016/j.jqsrt.2016.09.024.

G. Serdaroğlu* and J. V. Ortiz, Ab Initio Calculations on some Antiepileptic Drugs such as Phenytoin, Phenbarbital, Ethosuximide and Carbamazepine, Structural Chem. 28, 957-64 (2017). Request reprint. DOI: 10.1007/s11224-016-0898-3

A. Baiardi*, V. Barone, L. Paoloni, V. G. Zakrzewski and J. V. Ortiz, Assessment of electron propagator methods for the simulation of vibronic photoionization spectra, J. Chem. Theory Comput. 13, 3120-35 (2017). Request reprint. DOI: 10.1021/acs.jctc.6b00958

S. Hirata*, A. E. Doran, P. J. Knowles and J. V. Ortiz, One-particle many-body Green’s function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms, J. Chem. Phys. 147, 044108 (2017). Request reprint. Copyright 2017 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. DOI: 10.1063/1.4994837

J. V. Ortiz*, Interpreting Bonding and Spectra with Correlated, One-Electron Concepts from Electron Propagator Theory, in Ann. Rev. Comput. Chem. 13, 139-182, D. A. Dixon, ed., Elsevier, United Kingdom, 2017.

F. Pavosevic, C. Peng, J. V. Ortiz and E. Valeev*, Explicitly correlated formalism for second-order single-particle Green's function, J. Chem. Phys., in press.

A. Martínez Vázquez, A. Galano and J. V. Ortiz, Elena y Gerónimo, Editorial Terracota, México D.F., México, in press.