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Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra.Communication: Explicitly correlated formalism for second-order single-particle Green's function.Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions" by Li et al.Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond.Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.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)].Composite electron propagator methods for calculating ionization energies.Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursorsElectron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case StudiesExcess electrons bound to H2S trimer and tetramer clustersAufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH3)4@12NH3, M = Li, Be+, B2Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and ParamagneticTransition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH3)
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description
investigador
@es
researcher
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wetenschapper
@nl
name
J V Ortiz
@en
J V Ortiz
@nl
type
label
J V Ortiz
@en
J V Ortiz
@nl
prefLabel
J V Ortiz
@en
J V Ortiz
@nl
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P31
P496
0000-0002-9277-0226