Lista de obras - Luis Seijo - Dominio Público Uruguay

5f-->5f transitions of U4+ ions in high-field, octahedral fluoride coordination: the Cs2GeF6:U4+ crystal.

artículo científico publicado en 2005

Ab initio model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I)

artículo científico publicado en 1991

Ab initio model-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies of Cr2+ in oxide and fluoride octahedral coordination

artículo científico publicado en 1996

Ab initio spin-free-state-shifted spin-orbit configuration interaction calculations on singly ionized iridium

scholarly article by Frank Rakowitz et al published 15 May 1998 in Journal of Chemical Physics

Ab initio theoretical study on the 4f(2) and 4f5d electronic manifolds of cubic defects in CaF2:Pr3+.

artículo científico publicado en 2013

Absorption and emission spectra of Ce3+ in elpasolite lattices

scientific article published on 01 October 2003

Blue absorption and red emission of Bi2+ in solids: strongly spin-orbit coupled 6p levels in low symmetry fields.

artículo científico publicado en 2014

Broadband anti-Stokes white emission of Sr2CeO4 nanocrystals induced by laser irradiation

artículo científico publicado en 2016

Ce and La Single- and Double-Substitutional Defects in Yttrium Aluminum Garnet: First-Principles Study ⬇️

artículo científico publicado el 12 de enero de 2011

Color Control of Pr3+ Luminescence by Electron-Hole Recombination Energy Transfer in CaTiO3 and CaZrO3.

artículo científico publicado en 2017

Detailed interpretation of the 5f-6d absorption spectrum of U3+ in Cs2NaYCl6 and high pressure effects based on an ab initio simulation

artículo científico publicado en 2007

Direct Evidence of Intervalence Charge-Transfer States of Eu-Doped Luminescent Materials

artículo científico publicado en 2019

Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+.

artículo científico publicado en 2013

Electronic spectra of Yb2+-doped SrCl2 ⬇️

artículo científico publicado el 21 de septiembre de 2010

Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

artículo científico publicado en 2008

Energy gaps in the 4f(13)5d(1) manifold and multiple spontaneous emissions in Yb(2+)-doped CsCaBr(3)

artículo científico publicado en 2009

Erratum: Theoretical calculation of the pure electronic spectrum of MnF6 4- in vacuo and in RbMnF3

artículo científico publicado en 1987

Fine-Tuning the Cr3+ R1-Line by Controlling Pauli Antisymmetry Strength

artículo científico publicado en 2019

Geometry and electronic structure of impurity-trapped excitons in Cs2GeF6:U4+ crystals. The 5f17s1 manifold

artículo científico publicado en 2007

Host effects on the optically active 4f and 5d levels of Ce3+ in garnets.

artículo científico publicado en 2013

Improved embedding ab initio model potentials for embedded cluster calculations

artículo científico publicado en 2009

Intervalence charge transfer luminescence: interplay between anomalous and 5d - 4f emissions in Yb-doped fluorite-type crystals ⬇️

artículo científico publicado en 2014

Intervalence charge transfer luminescence: the anomalous luminescence of cerium-doped Cs₂LiLuCl₆ elpasolite ⬇️

scientific article published on 01 December 2014

Large splittings of the 4f shell of Ce3+ in garnets

artículo científico publicado en 2014

MOLCAS: a program package for computational chemistry

scholarly article by Gunnar Karlström et al published October 2003 in Computational Materials Science

Metal-to-metal charge transfer between dopant and host ions: Photoconductivity of Yb-doped CaF2 and SrF2 crystals

artículo científico publicado en 2015

Modern quantum chemistry with [Open]Molcas

scientific article published on 01 June 2020

New Insights in 4f(12)5d(1) Excited States of Tm(2+) through Excited State Excitation Spectroscopy

artículo científico publicado en 2016

Prediction of pressure-induced redshift of f1-->d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shortening

scientific article published on 01 June 2005

Quantum chemical study of 4f-->5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+.

artículo científico publicado en 2005

Radial correlation effects on interconfigurational excitations at the end of the lanthanide series: A restricted active space second order perturbation study of Yb2+ and SrCl2:Yb2+ ⬇️

artículo científico publicado el 21 de febrero de 2013

Resolving the ambiguity in the relation between Stokes shift and Huang-Rhys parameter

scientific article published on 01 July 2015

Spin-forbidden and spin-enabled 4f(14)-->4f(13)5d(1) transitions of Yb(2+)-doped CsCaBr3

scientific article published on 01 July 2009

Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. II

Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. Part I

The 5f2-->5f16d1 absorption spectrum of Cs2GeF6:U4+ crystals: A quantum chemical and experimental study.

artículo científico publicado en 2006

The Complexity of the CaF2:Yb System: A Huge, Reversible, X-ray-Induced Valence Reduction

Theoretical calculation of the pure electronic spectrum of MnF6 4- in vacuo and in RbMnF3

artículo científico publicado en 1986

Theoretical study of the effects of F to Cl chemical substitution on the electronic structure and the luminescence properties of Cs2GeF6:Os4+ and Cs2ZrCl6:Os4+ materials

scientific article published on 01 March 2006

X-ray Excitation Triggers Ytterbium Anomalous Emission in CaF2:Yb but Not in SrF2:Yb.

artículo científico publicado en 2017

Yb 2 + -doped SrCl2: Electronic structure of impurity states and impurity-trapped excitons ⬇️

artículo científico publicado el 21 de septiembre de 2010

Lista de obras de Luis Seijo

5f-->5f transitions of U4+ ions in high-field, octahedral fluoride coordination: the Cs2GeF6:U4+ crystal.

Ab initio model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I)

Ab initio model-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies of Cr2+ in oxide and fluoride octahedral coordination

Ab initio spin-free-state-shifted spin-orbit configuration interaction calculations on singly ionized iridium

Ab initio theoretical study on the 4f(2) and 4f5d electronic manifolds of cubic defects in CaF2:Pr3+.

Absorption and emission spectra of Ce3+ in elpasolite lattices

Blue absorption and red emission of Bi2+ in solids: strongly spin-orbit coupled 6p levels in low symmetry fields.

Broadband anti-Stokes white emission of Sr2CeO4 nanocrystals induced by laser irradiation

Ce and La Single- and Double-Substitutional Defects in Yttrium Aluminum Garnet: First-Principles Study ⬇️

Color Control of Pr3+ Luminescence by Electron-Hole Recombination Energy Transfer in CaTiO3 and CaZrO3.

Detailed interpretation of the 5f-6d absorption spectrum of U3+ in Cs2NaYCl6 and high pressure effects based on an ab initio simulation

Direct Evidence of Intervalence Charge-Transfer States of Eu-Doped Luminescent Materials

Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+.

Electronic spectra of Yb2+-doped SrCl2 ⬇️

Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

Energy gaps in the 4f(13)5d(1) manifold and multiple spontaneous emissions in Yb(2+)-doped CsCaBr(3)

Erratum: Theoretical calculation of the pure electronic spectrum of MnF6 4- in vacuo and in RbMnF3

Fine-Tuning the Cr3+ R1-Line by Controlling Pauli Antisymmetry Strength

Geometry and electronic structure of impurity-trapped excitons in Cs2GeF6:U4+ crystals. The 5f17s1 manifold

Host effects on the optically active 4f and 5d levels of Ce3+ in garnets.

Improved embedding ab initio model potentials for embedded cluster calculations

Intervalence charge transfer luminescence: interplay between anomalous and 5d - 4f emissions in Yb-doped fluorite-type crystals ⬇️

Intervalence charge transfer luminescence: the anomalous luminescence of cerium-doped Cs₂LiLuCl₆ elpasolite ⬇️

Large splittings of the 4f shell of Ce3+ in garnets

MOLCAS: a program package for computational chemistry

Metal-to-metal charge transfer between dopant and host ions: Photoconductivity of Yb-doped CaF2 and SrF2 crystals

Modern quantum chemistry with [Open]Molcas

New Insights in 4f(12)5d(1) Excited States of Tm(2+) through Excited State Excitation Spectroscopy

Prediction of pressure-induced redshift of f1-->d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shortening

Quantum chemical study of 4f-->5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+.

Radial correlation effects on interconfigurational excitations at the end of the lanthanide series: A restricted active space second order perturbation study of Yb2+ and SrCl2:Yb2+ ⬇️

Resolving the ambiguity in the relation between Stokes shift and Huang-Rhys parameter

Spin-forbidden and spin-enabled 4f(14)-->4f(13)5d(1) transitions of Yb(2+)-doped CsCaBr3

Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. II

Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. Part I

The 5f2-->5f16d1 absorption spectrum of Cs2GeF6:U4+ crystals: A quantum chemical and experimental study.

The Complexity of the CaF2:Yb System: A Huge, Reversible, X-ray-Induced Valence Reduction

Theoretical calculation of the pure electronic spectrum of MnF6 4- in vacuo and in RbMnF3

Theoretical study of the effects of F to Cl chemical substitution on the electronic structure and the luminescence properties of Cs2GeF6:Os4+ and Cs2ZrCl6:Os4+ materials

X-ray Excitation Triggers Ytterbium Anomalous Emission in CaF2:Yb but Not in SrF2:Yb.

Yb 2 + -doped SrCl2: Electronic structure of impurity states and impurity-trapped excitons ⬇️