Transferencia de energía y electrones en materiales solidos luminiscentes activados por lantanidos multivalentes - Barandiaran Piedra, Zoila (Investigador/a); Pascual Robledo, Jose Luis (Investigador/a); Seijo Loche, Luis Ignacio (Investigador principal (IP)) (2018)

Estudios ab initio de estados excitados de materiales con elementos f: de centelleo, luminiscentes y combustibles y residuos nucleares - Seijo Loche, Luis Ignacio (Investigador/a); Pascual Robledo, Jose Luis (Investigador/a); Barandiaran Piedra, Zoila (Investigador principal (IP)) (2012)

Ab initio theoretical study of luminescence properties of Pr3+-doped Lu2O3 - Pascual J; Barandiarán Z; Seijo L (Theoretical Chemistry Accounts, 2011)

First-principles studies on ce-doped yag(y3al5o12): Codoping, antisite defects and ce3+ 4f-5d transitions - Muñoz Garcia, Ana Belen (Autor o Coautor); Barandiaran Piedra, Zoila (Autor o Coautor); Yndurain Muñoz, Felix (Autor o Coautor); Luis Seijo (Director) Doctorando: Ana Belén Muñoz García (2011)

Structural effects and 4f-5d transition shifts induced by la codoping in Ce-doped yttrium aluminum garnet: First-principles study - Muñoz-García A; Pascual J; Barandiarán Z; Seijo L (Physical Review b, 2010)

Improved embedding Ab initio model potentials for embedded cluster calculations - Pascual J; Barros N; Barandiarán Z; Seijo L (Journal Of Physical Chemistry a, 2009)

Estudios ab initio de lantanidos en iluminación de estado sólido y actinidos en sistemas avanzados de energía nuclear. - Seijo Loche, Luis Ignacio (Investigador/a); Pascual Robledo, Jose Luis (Investigador/a); Barandiaran Piedra, Zoila (Investigador principal (IP)) (2009)

Relation between high-pressure spectroscopy and fn-1 d1 excited-state geometry: A comparison between theoretical and experimental results in Sr F2: Sm2+ - Pascual J; Barandiarán Z; Seijo L (Physical Review b, 2007)

Order-N and embedded-cluster first-principles DFT calculations using SIESTA/Mosaico - Seijo L; Barandiarán Z; Soler J (Theoretical Chemistry Accounts, 2007)

Large anomalies due to insufficiency of Madelung embedding in ab initio calculations of 4f-5d and 4f-6s excitations of lanthanides in ionic crystals: The Ba F2: Ce3+ crystal - Pascual JL; Schamps J; Barandiarán Z; Seijo L (Physical Review b, 2006)

Geometry and electronic structure of M -DNA (M= Zn2+, Co2+, and Fe2+) - Alexandre S.S., Soler J.M., Seijo L., Zamora F. (Physical Review b, 2006)

Enlace, estructura y espectroscopia de impurezas de lantánidos y actínidos en sólidos. - Ordejón Rontomé, Belén (Investigador/a); Fernando Ruiperez Cillan (Investigador/a); Goar Sanchez Sanz (Investigador/a); Noemi Barros (Investigador/a); Barandiaran Piedra, Zoila (Investigador/a); Pascual Robledo, Jose Luis (Investigador/a); Ana Belen Muñoz Garcia (Investigador/a); Seijo Loche, Luis Ignacio (Investigador principal (IP)) (2005)

On the nature of the ground state of Cr(V) defects in YVO4: An ab initio model potential embedded-cluster study - Pascual J; Barandiarán Z; Seijo L (International Journal Of Quantum Chemistry, 2002)

Ab initio model potential embedded cluster calculation of the geometric structure of Tl+ monomer and dimer centers in KCl - Pascual, JL; Barandiarán, Z; Seijo, L; (Journal Of Molecular Structure: Theochem, 2001)

Estructura electrónica y crecimiento de siluros de hierro - Seijo Loche, Luis Ignacio (Autor o Coautor); Sanz Martínez, José María (Autor o Coautor); Hinarejos Murillo, Juan Jose (Autor o Coautor); Enrique García Michel (Director) Doctorando: Juan José Hinarejos Murillo (1996)

Ab initio model potential embedded cluster calculations including lattice relaxation and polarization: Local distortions on Mn2+-doped CaF2 - Pascual J., Seijo L. (Journal Of Chemical Physics, 1995)

Ab initio model potential study of the optical absorption spectrum of Mn2+-doped CaF2 - Pascual J; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 1995)

Ab initio model potential study of environmental effects on the Jahn-Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts - Pascual J; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 1993)

Symmetry Handling - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Quantum Chemistry Methods - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Feasibility and Accuracy: Criteria and Choices - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Calculations of Local Properties of Luminescent Materials - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Configuration Coordinate Energy Diagrams of Optically Active Sites in BaF2 - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Active Centers of Luminescent Materials - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Solid-State Lighting Phosphors - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Charge Transfer States - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Fundamental Spectroscopic Studies - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Electron Transfer and Luminescence - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Impurity States - Barandiarán Z; Joos J; Seijo L (Springer Series In Materials Science, 2022)

Elucidation of the electron transfer mechanism in Eu2+ and Sm3+ codoped CaF2: A step towards better understanding of trapping and detrapping in luminescent materials - Joos JJ; Van Der Heggen D; Amidani L; Seijo L; Barandiarán Z (Physical Review b, 2021)

Charge transfer from Eu2+ to trivalent lanthanide co-dopants: Systematic behavior across the series - Joos, Jonas J.; Neefjes, Ivo; Seijo, Luis; Barandiaran, Zoila; (Journal Of Chemical Physics, 2021)

Bringing onco?innovation to Europe?s healthcare systems: The potential of biomarker testing, real world evidence, tumour agnostic therapies to empower personalised medicine - Horgan D; Ciliberto G; Conte P; Curigliano G; Seijo L; Montuenga LM; Garassino M; Penault?llorca F; Galli F; Ray?coquard I; Querleu D; Riegman P; et al. (Cancers, 2021)

Modern quantum chemistry with [Open]Molcas - Aquilante F., Autschbach J., Baiardi A., Battaglia S., Borin V.A., Chibotaru L.F., Conti I., De Vico L., Delcey M., Galván I.F., Ferré N., Freitag L., Garavelli M., Gong X., Knecht S., Larsson E.D., Lindh R., Lundberg M., Malmqvist P.Å., Nenov A., Norell J., Odelius M., Olivucci M., Pedersen T.B., Pedraza-González L., Phung Q.M., Pierloot K., Reiher M., Schapiro I., Segarra-Martí J., Segatta F., Seijo L., Sen S., Sergentu D.C., Stein C.J., Ungur L., Vacher M., Valentini A., Veryazov V. (Journal Of Chemical Physics, 2020)

Insights into the complexity of the excited states of Eu-doped luminescent materials - Joos J.J., Smet P.F., Seijo L., Barandiarán Z. (Inorganic Chemistry Frontiers, 2020)

Mixed-Valence Lanthanide-Activated Phosphors: Invariance of the Intervalence Charge Transfer (IVCT) Absorption Onset across the Series - Neefjes I., Joos J.J., Barandiarán Z., Seijo L. (Journal Of Physical Chemistry c, 2020)

Broadband infrared LEDs based on europium-to-terbium charge transfer luminescence - Joos, Jonas J.; Van der Heggen, David; Martin, Lisa I. D. J.; Amidani, Lucia; Smet, Philippe F.; Barandiaran, Zoila; Seijo, Luis; (Nature Communications, 2020)

Fine-Tuning the Cr3+ R1-Line by Controlling Pauli Antisymmetry Strength - Seijo L., Feofilov S.P., Barandiarán Z. (Journal Of Physical Chemistry Letters, 2019)

Direct Evidence of Intervalence Charge-Transfer States of Eu-Doped Luminescent Materials - Joos J.J., Seijo L., Barandiarán Z. (Journal Of Physical Chemistry Letters, 2019)

The Complexity of the CaF2:Yb System: A Huge, Reversible, X-ray-Induced Valence Reduction - MacKeen C., Bridges F., Seijo L., Barandiarán Z., Kozina M., Mehta A., Reid M.F., Wells J.P.R. (Journal Of Physical Chemistry c, 2017)

Color Control of Pr(3+) Luminescence by Electron-Hole Recombination Energy Transfer in CaTiO3 and CaZrO3. - Barandiarán Z, Bettinelli M, Seijo L (Journal Of Physical Chemistry Letters, 2017)

Energy Level Structure and Multiple 4f(12)5d(1) Emission Bands for Tm2+ in Halide Perovskites: Theory and Experiment - de Jong, Mathijs; Meijerink, Andries; Seijo, Luis; Barandiaran, Zoila; (Journal Of Physical Chemistry c, 2017)

X-ray Excitation Triggers Ytterbium Anomalous Emission in CaF2:Yb but Not in SrF2:Yb - Hughes-Currie, Rosa B.; Ivanovskikh, Konstantin V.; Wells, Jon-Paul R.; Reid, Michael F.; Gordon, Robert A.; Seijo, Luis; Barandiaran, Zoila; (Journal Of Physical Chemistry Letters, 2017)

New Insights in 4f(12)5d(1) Excited States of Tm(2+) through Excited State Excitation Spectroscopy - de Jong M, Biner D, Krämer KW, Barandiarán Z, Seijo L, Meijerink A (Journal Of Physical Chemistry Letters, 2016)

Red shifts of the yellow emission of YAG:Ce3+ due to tetragonal fields induced by cationic substitutions - Seijo, Luis; Barandiar, Zoila; (Rsc Advances, 2016)

Broadband anti-Stokes white emission of Sr2CeO4 nanocrystals induced by laser irradiation - Strek W, Tomala R, Marciniak L, Lukaszewicz M, Cichy B, Stefanski M, Hreniak D, Kedziorski A, Krosnicki M, Seijo L (Physical Chemistry Chemical Physics, 2016)

Ab Initio Calculations on Excited States of Lanthanide Containing Materials - Seijo L., Barandiarán Z. (Handbook On The Physics And Chemistry Of Rare Earths, 2016)

Anomalous Red and Infrared Luminescence of Ce3+ Ions in SrS:Ce Sintered Ceramics - Kulesza D., Cybi?ska J., Seijo L., Barandiarán Z., Zych E. (Journal Of Physical Chemistry c, 2015)

Metal-to-metal charge transfer between dopant and host ions: Photoconductivity of Yb-doped CaF2 and SrF2 crystals - Barandiarán Z., Seijo L. (Journal Of Chemical Physics, 2015)

Configuration coordinate energy level diagrams of intervalence and metal-to-metal charge transfer states of dopant pairs in solids - Barandiarán Z., Meijerink A., Seijo L. (Physical Chemistry Chemical Physics, 2015)

Resolving the ambiguity in the relation between Stokes shift and Huang-Rhys parameter - De Jong M; Seijo L; Meijerink A; Rabouw F (Physical Chemistry Chemical Physics, 2015)

Structural relaxation effects on the lowest 4f-5d transition of Ce3+in garnets - Phung Q.M., Barandiarán Z., Seijo L. (Theoretical Chemistry Accounts, 2015)

4f, 5d, 6s, and Impurity-Trapped Exciton States of Lanthanides in Solids - Barandiarán Z., Seijo L. (Computational Methods In Lanthanide And Actinide Chemistry, 2015)

Intervalence charge transfer luminescence: Interplay between anomalous and 5 d - 4 f emissions in Yb-doped fluorite-type crystals - Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2014)

Intervalence charge transfer luminescence: The anomalous luminescence of cerium-doped Cs2LiLuCl6 elpasolite - Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2014)

Structure and hindered vibration of Bi2+ in the red-orange phosphor SrB4O7:Bi - De Jong M; Meijerink A; Barandiarán Z; Seijo L (Journal Of Physical Chemistry c, 2014)

Blue absorption and red emission of Bi2+ in solids: Strongly spin-orbit coupled 6p levels in low symmetry fields - Seijo L; Barandiarán Z (Physical Chemistry Chemical Physics, 2014)

Is Bi2+ responsible for the red-orange emission of bismuth-doped SrB4O7? - De Jong M; Meijerink A; Gordon R; Barandiarán Z; Seijo L (Journal Of Physical Chemistry c, 2014)

Large splittings of the 4f shell of Ce3+ in garnets - Seijo L; Barandiarán Z (Physical Chemistry Chemical Physics, 2014)

Ab initio theoretical study on the 4f2 and 4f5d electronic manifolds of cubic defects in CaF2:Pr3+ - Kro?nicki M; Keì?dziorski A; Seijo L; Barandiarán Z (Journal Of Physical Chemistry a, 2014)

Host effects on the optically active 4f and 5d levels of Ce3+ in garnets - Seijo L; Barandiarán Z (Physical Chemistry Chemical Physics, 2013)

Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+ - Salkeld A; Reid M; Wells J; Sánchez-Sanz G; Seijo L; Barandiarán Z (Journal Of Physics-Condensed Matter, 2013)

Exploring the impact of screening with low-dose CT on lung cancer mortality in mild to moderate COPD patients: A pilot study - De-Torres J., Casanova C., Marín J., Zagaceta J., Alcaide A., Seijo L., Campo A., Carrizo S., Montes U., Cordoba-Lanus E., Baz-Dávila R., Aguirre-Jaime A., Celli B., Zulueta J. (Respiratory Medicine, 2013)

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+ - Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2013)

4f and 5d Levels of Ce3+ in D2 8-fold oxygen coordination - Seijo L; Barandiarán Z (Optical Materials, 2013)

Antisite defects in Ce-doped YAG (Y 3Al 5O 12): First-principles study on structures and 4f-5d transitions - Muñoz-García A; Barandiarán Z; Seijo L (Journal Of Materials Chemistry a, 2012)

First-principles study on structural properties and 4f ? 5d transitions of locally charge-compensated Ce 3+ in CaF 2 - Ning L; Wu C; Li L; Lin L; Duan C; Zhang Y; Seijo L (Journal Of Physical Chemistry c, 2012)

Electronic properties and 4f ? 5d transitions in Ce-doped Lu 2SiO 5: A theoretical investigation - Ning L; Lin L; Li L; Wu C; Duan C; Zhang Y; Seijo L (Journal Of Materials Chemistry a, 2012)

Multicentre European study for the treatment of advanced emphysema with bronchial valves - Ninane, Vincent; Geltner, Christian; Bezzi, Michela; Foccoli, Pierfranco; Gottlieb, Jens; Welte, Tobias; Seijo, Luis; Zulueta, Javier J; Munavvar, Mohammed; Rosell, Antoni; Lopez, Marta; Jones, Paul W; et al. (European Respiratory Journal, 2012)

Ce and La single-and double-substitutional defects in yttrium aluminum garnet: First-principles study - Muñoz-García A; Seijo L (Journal Of Physical Chemistry a, 2011)

Structural, electronic, and spectroscopic effects of Ga codoping on Ce-doped yttrium aluminum garnet: First-principles study - Muñoz-García A; Seijo L (Physical Review b, 2010)

Complement Factor H Is Elevated in Bronchoalveolar Lavage Fluid and Sputum from Patients with Lung Cancer - Pio, Ruben; Garcia, Javier; Corrales, Leticia; Ajona, Daniel; Fleischhacker, Michael; Pajares, Maria J.; Cardenal, Felipe; Seijo, Luis; Zulueta, Javier J.; Nadal, Ernest; Witt, Christian; Lozano, Maria D.; et al. (Cancer Epidemiology Biomarkers & Prevention, 2010)

Energy level shifts in two-step spin-orbit coupling ab initio calculations - Sánchez-Sanz G; Barandiarán Z; Seijo L (Chemical Physics Letters, 2010)

Electronic spectra of Yb2+-doped SrCl2 - Sánchez-Sanz G; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2010)

Yb2+-doped Sr Cl2: Electronic structure of impurity states and impurity-trapped excitons - Sánchez-Sanz G; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2010)

Diagnostic bronchoscopy: State of the art - Dooms C., Seijo L., Gasparini S., Trisolini R., Ninane V., Tournoy K. (European Respiratory Review : An Official Journal Of The European Respiratory Society, 2010)

Energy shift of the 4f136s1 excited states of Yb2+ from gas phase to the CsCaBr3 solid - Sánchez-Sanz G; Seijo L; Barandiarán Z (Spectroscopy Letters, 2010)

Energy Gaps in the 4f(13)5d(1) Manifold and Multiple SpontaneousEmissions in Yb2+-Doped CsCaBr3 - Sánchez-Sanz G, Seijo L, Barandiarán Z (Journal Of Physical Chemistry a, 2009)

5f-6d orbital hybridization of trivalent uranium in crystals of hexagonal symmetry: Effects on electronic energy levels and transition intensities - Wang W; Liu G; Brik M; Seijo L; Shi D (Physical Review b, 2009)

Endoscopic interventions in severe emphysema - Seijo L. (American Journal Of Respiratory And Critical Care Medicine, 2009)

Atomistic and electronic structure of antisite defects in yttrium aluminum garnet: Density-functional study - Muñoz-García A; Artacho E; Seijo L (Physical Review b, 2009)

Low-dose volumetric computed tomography for quantification of emphysema in asymptomatic smokers participating in an early lung cancer detection trial - Bastarrika G., Wisnivesky J., Pueyo J., Díaz L., Arraiza M., Villanueva A., Alcaide A., Campo A., Seijo L., De Torres J., Zulueta J. (Journal Of Thoracic Imaging, 2009)

Spin-forbidden and spin-enabled 4 f14 ?4 f13 5 d1 transitions of Yb2+ -doped CsCaBr3 - Sánchez-Sanz G; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2009)

First-principles study of the structure and the electronic structure of yttrium aluminum garnet Y3Al5O12 - Muñoz-García A; Anglada E; Seijo L (International Journal Of Quantum Chemistry, 2009)

Ab initio calculations on the local structure and the 4f-5d absorption and emission spectra of Ce3 +-doped YAG - Gracia J; Seijo L; Barandiarán Z; Curulla D; Niemansverdriet H; van Gennip W (Journal Of Luminescence, 2008)

Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: Implementation and applications - Swerts B; Chibotaru L; Lindh R; Seijo L; Barandiaran Z; Clima S; Pierloot K; Hendrickx M (Journal Of Chemical Theory And Computation, 2008)

Detailed interpretation of the 5f-6d absorption spectrum of U3+ in Cs2NaYCl6 and high pressure effects based on an ab initio simulation - Rui?rez F; Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2007)

The 5 f1 6 d1 ? 5 f2 luminescence spectrum of U4 + in Cs2GeF6 crystals-A quantum chemical study - Ordejón B; Vallet V; Flament J; Seijo L; Barandiarán Z (Journal Of Luminescence, 2007)

Hyperleptinaemia, respiratory drive and hypercapnic response in obese patients - Campo A., Frühbeck G., Zulueta J., Iriarte J., Seijo L., Alcaide A., Galdiz J., Salvador J. (European Respiratory Journal, 2007)

Geometry and electronic structure of impurity-trapped excitons in Cs2 Ge F6: U4+ crystals. the 5 f1 7 s1 manifold - Ordejón B; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2007)

Estudio teórico de lantánidos y actínidos en cristales iónicos contracción lantánida en Cs2NaYCl6: Ln3+. Luminiscencia, estados localizados y excitones atrapados en Cs2GeF6:U4++ - Ordejón Rontomé, Belén (Autor o Coautor); Seijo Loche, Luis Ignacio (Autor o Coautor); Luis Seijo (Director); Zolia Barandiarán Piedra (Director) Doctorando: Belén Ordejón Rontomé (2007)

Juvenile rheumatoid arthritis and bronchiolitis obliterans organized pneumonia - Sohn D., Laborde H., Bellotti M., Seijo L. (Clinical Rheumatology, 2007)

The 5f3 manifold of the free-ion U3+: Ab initio calculations - Ruipérez F; Roos B; Barandiarán Z; Seijo L (Chemical Physics Letters, 2007)

On the bond length change upon 4f 1 ? 5d 1 excitations in eightfold coordination: CaF2:Ce3+ cubic defects - Barandiarán Z; Seijo L (Theoretical Chemistry Accounts, 2006)

The 5f2?5f16d1 absorption spectrum of Cs2GeF6:U4+ crystals: A quantum chemical and experimental study - Ordejón B; Karbowiak M; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2006)

Crystal arthropathies, an unfrequent cause of poplyteal cyst [1] - Cavallasca J., Seijo L., Nasswetter G., Otermin Maya I., Pereda García A., López Aldaz M., Gállego Cullere J. (Medicina Clinica, 2006)

Ab initio calculations of lanthanide and actinide ions in solids usingMOLCAS: Bond, structure, and spectroscopy of f(N), f(N-1)d(1) andf(N-1)s(1) manifolds - Barandiaran, Z; Seijo Loche, Luis Ignacio (Lecture Series On Computer And Computational Sciences, 2006)

5f?5f transitions of U 4+ ions in high-field, octahedral fluoride coordination: The Cs 2GeF 6:U 4+ crystal - Ordejón B; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2005)

Quantum chemical study of 4f?5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs 2 NaYCl 6. Ce 3+ to Tb 3+ - Ruipérez F; Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2005)

Prediction of pressure-induced redshift of f 1 ?d (t 2g) 1 excitations in Cs 2NaYCl 6: Ce 3+ and its connection with bond-length shortening - Rui?rez F; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2005)

Bond lengths of 4f1 and 5d1 states of Ce3+ hexahalides - Barandiarán Z; Edelstein N; Ordejón B; Ruipérez F; Seijo L (Journal Of Solid State Chemistry, 2005)

Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets - Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2004)

Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters - Seijo L; Barandiarán Z (Theoretical And Computational Chemistry, 2004)

Absorption and Emission Spectra of Ce3+ in Elpasolite Lattices - Tanner P; Mak C; Edelstein N; Murdoch K; Liu G; Huang J; Seijo L; Barandiarán Z (Journal Of The American Chemical Society, 2003)

MOLCAS: A program package for computational chemistry - Karlström G; Lindh R; Malmqvist P; Roos B; Ryde U; Veryazov V; Widmark P; Cossi M; Schimmelpfennig B; Neogrady P; Seijo L (Computational Materials Science, 2003)

Quantum chemical study of the lanthanide bond length contraction on Ln 3+ -doped Cs2NaYCl6 crystals (Ln=Ce to Lu) - Ordejón B; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2003)

Quantum chemical analysis of the bond lengths in fn and f n-1 d1 states of Ce3+, Pr3+, Pa 4+, and U4+ defects in chloride hosts - Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2003)

Structure and spectroscopy of U4+ defects in Cs2ZrCl6: Ab initio theoretical studies on the 5f2 and 5f16d1 manifolds - Barandiaran Z; Seijo L (Journal Of Chemical Physics, 2003)

Ab initio theoretical studies on U3+ and on the structure and spectroscopy of U3+ substitutional defects in Cs2NaYCl6, 5f26 d1 manifold - Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2003)

High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. An ab initio embedded cluster study - Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2003)

Transferability of core potentials to f and d states of lanthanide and actinide ions - Seijo L., Barandiaran Z., Ordejon B. (Molecular Physics, 2003)

Third-order Douglas-Kroll ab initio model potential for actinide elements - Paulovi? J; Nakajima T; Hirao K; Seijo L (Journal Of Chemical Physics, 2002)

A third-order Douglas-Kroll ab initio model potential for the lanthanides - Tsuchiya T; Nakajima T; Hirao K; Seijo L (Chemical Physics Letters, 2002)

Alternative configuration interaction expansions for transition metal ions with intermediate oxidation states in crystals: The structure and absorption spectrum of Cs2GeF6:Mn4+ - Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2001)

Structure and spectroscopy of Pa4+ defects in Cs2ZrCl6. An ab initio theoretical study - Seijo L; Barandiarán Z (Journal Of Chemical Physics, 2001)

The ab initio model potential method with the spin-free relativistic scheme by eliminating small components Hamiltonian - Motegi K; Nakajima T; Hirao K; Seijo L (Journal Of Chemical Physics, 2001)

Theoretical and experimental study of tri- and tetrahalodiorganostannate (IV) salts. Solvent dependence in the reaction of dimethyltin dibromide with tetraethylammonium bromide - Seijo Loche, Luis Ignacio; Tudela Moreno, David; Diaz, M; Alvaro, DA; Ignacio, J; Belsky, VK (Organometallics, 2001)

Ab initio model potential method: Lanthanide and actinide elements - Seijo L; Barandiarán Z; Harguindey E (Journal Of Chemical Physics, 2001)

Structure and Spectroscopy of Cr3+ Defects in KMgF3, KZnF3, and CsCaF3 Crystals. An Ab Initio Model Potential Embedded Cluster Study - López-Moraza S; Seijo L; Barandiarán Z (International Journal Of Quantum Chemistry, 2000)

Ab initio model potential embedded cluster calculation of the absorption spectrum of Cs2GeF6:Mn4+. Large discrepancies between theory and experiment - Seijo L; Barandiarán Z; McClure D (International Journal Of Quantum Chemistry, 2000)

Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. Part I - Rakowitz F., Marian C., Seijo L. (Journal Of Chemical Physics, 1999)

Wood-Boring ab initio model potential relativistic treatment of Ce and CeO - Seijo Loche, Luis Ignacio; Diaz-Megias, S (Chemical Physics Letters, 1999)

The ab initio model potential method: Third-series transition metalelements - Casarrubios, M; Seijo, L; (Journal Of Chemical Physics, 1999)

A new interpretation of the bonding and spectroscopy of the tetraoxoferrate(VI) FeO42- ion - Al-Abdalla A; Seijo L; Barandiarán Z (Journal Of Chemical Physics, 1998)

Ab initio model potential embedded cluster study of the structure andspectroscopy of V3+-doped elpasolites K2NaScF6, Cs2NaYCl6 and Cs2NaYBr6 - Al-Abdalla, A; Seijo, L; Barandiaran, Z; (Journal Of Molecular Structure: Theochem, 1998)

Ab initio spin-free-state-shifted spin-orbit configuration interaction calculations on singly ionized iridium - Rakowitz F; Casarrubios M; Seijo L; Marian C (Journal Of Chemical Physics, 1998)

The ab initio model potential method. Relativistic Wood-Boring valence spin-orbit potentials and spin-orbit-corrected basis sets from B(Z = 5) to Ba(Z = 56) - Casarrubios M., Seijo L. (Journal Of Molecular Structure: Theochem, 1998)

Ab initio model potential embedded-cluster study of the ground andlowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 andCs2NaYBr6 - Al-Abdalla, A; Barandiarán, Z; Seijo, L; Lindh, R; (Journal Of Chemical Physics, 1998)

Multiple-excited-state absorption of V2+ in low-field crystals: An ab initio model-potential embedded-cluster study - López-Moraza S., Seijo L., Barandiarán Z. (Physical Review b, 1998)

Applications of the group-function theory to the field of materials science - Seijo L; Barandiarán Z (International Journal Of Quantum Chemistry, 1996)

Ab initio model potential calculations on the electronic spectrum of Ni2+-doped MgO including correlation, spin-orbit and embedding effects - Llusar R; Casarrubios M; Barandiarán Z; Seijo L (Journal Of Chemical Physics, 1996)

Relativistic Wood-Boring ab initio model potential calculations on the platinum atom - Casarrubios M; Seijo L (Chemical Physics Letters, 1995)

Relativistic ab initio model potential calculations including spin-orbit effects through the Wood-Boring Hamiltonian - Seijo L (Journal Of Chemical Physics, 1995)

EMBEDDED-CLUSTER CALCULATIONS - BARANDIARAN, Z; SEIJO, L; (Journal Of Chemical Physics, 1994)

Quasirelativistic ab initio model potential calculations on the group IV hydrides (XH2, XH4; X=Si,Ge,Sn,Pb) and oxides (XO; X=Ge,Sn,Pb) - Barandiarán Z., Seijo L. (Journal Of Chemical Physics, 1994)

Rheumatic polymyalgia - Vila Fayos V; Duhau J; Serantes C; Seijo L; Houssay R (Geriatrika, 1994)

Bonding between CO and the MgO(001) surface: A modified picture - Nygren M; Pettersson L; Barandiarán Z; Seijo L (Journal Of Chemical Physics, 1994)

Ab initio model potential study of pressure effects on K 2NaGaF6:Cr3+ - Seijo L; Barandiarán Z; Pettersson L (Journal Of Chemical Physics, 1993)

Self-consistent embedded clusters: Building block equations for localized orthogonal orbitals - Seijo L; Barandiarán Z (Journal Of Mathematical Chemistry, 1992)

Atomic valence correlation energies from ab initio model potential calculations - Seijo L; Barandiarán Z; Huzinaga S (Chemical Physics Letters, 1992)

The abinitio model potential method - Cowan-Griffin relativistic corepotentials and valence basis-sets from LI (Z = 3) to LA (Z = 57) - BARANDIARAN, Z; SEIJO, L; (Canadian Journal Of Chemistry, 1992)

Beyond the embedded-cluster approximation - An ab-initio treatment of polarization effects - BARANDIARAN, Z; SEIJO, L; (0-306-44102-0, 1992)

Ab initio model potential study of local distortions around Cr+ and Cr3+ defects in fluorite - Seijo L; Barandiarán Z (Journal Of Chemical Physics, 1991)

Ab initio model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I) - Seijo L; Barandiarán Z; Huzinaga S (Journal Of Chemical Physics, 1991)

Theoretical studies of transplantation antigens: Predicted conformation and structure-function relationship of the murine MHC class i antigen H-2Kb - Fraga S., Seijo L., Campillo M., Moscardo F., Singh B. (Journal Of Molecular Structure: Theochem, 1988)

The ab initio model potential representation of the crystalline environment. Theoretical study of the local distortion on NaCl:Cu+ - Barandiarán Z; Seijo L (Journal Of Chemical Physics, 1988)

Erratum: Theoretical calculation of the pure electronic spectrum of MnF64- in vacuo and in RbMnF3(Physical Review B (1987)35,5(2474)) - Flrez M., Seijo L., Pueyo L. (Physical Review b, 1987)

Ab initio SCF studies of the molecular structure of XeF6, IF6-, and TeF62- in non-octahedral geometries - Klobukowski M; Huzinaga S; Seijo L; Barandiarán Z (Theoretica Chimica Acta, 1987)

THE ABINITIO MODEL POTENTIAL METHOD - MAIN GROUP ELEMENTS - Huzinaga S; Seijo L; Barandiarán Z; Klobukowski M (Journal Of Chemical Physics, 1987)

THEORETICAL D-D SPECTRUM AND SPECTRAL PARAMETERS OF CRZ+(Z=1-4), MN-2+,AND V-2+ IN FLUORIDE LATTICES - FRANCISCO, E; FLOREZ, M; BARANDIARAN, Z; RODRIGO, GF; LUANA, V; RECIO, JM; BERMEJO, M; SEIJO, L; PUEYO, L; (Crystal Lattice Defects And Amorphous Materials, 1987)

Towards HF SCF value of electron affinity of SF6 - Klobukowski M; Barandiarán Z; Seijo L; Huzinaga S (Journal Of Chemical Physics, 1987)

Reduction of orbital sets - Francisco E; Seijo L; Pueyo L (Computer Physics Communications, 1987)

Basis sets generation: Relation between Adamowicz's and the maximum overlap method - Francisco E; Seijo L; Pueyo L (International Journal Of Quantum Chemistry, 1987)

Recognition of amino acids in solution: The role of the hydrophobic forces - Seijo L., Klobukowski M., Mitchell B.K., Fraga S. (Journal Of Biological Physics, 1986)

The maximum overlap method: A general and efficient scheme for reducing basis sets. Application to the generation of approximate AO's for the 3d transition metal atoms and ions - Francisco E; Seijo L; Pueyo L (Journal Of Solid State Chemistry, 1986)

Core-projection effects in near ab initio valence calculations of the electronic ground state of the octahedral CrF4-6 - Seijo L; Barandiarán Z; Luaña V; Pueyo L (Journal Of Solid State Chemistry, 1986)

THEORETICAL-STUDIES OF TRANSPLANTATION ANTIGENS - STRUCTURE AND FUNCTIONOF THE MURINE MHC CLASS-I ANTIGEN H-2KB - FRAGA, S; SEIJO, L; CAMPILLO, M; SINGH, B; (Acs National Meeting Book Of Abstracts, 1986)

A systematic study of basis set effects in ab initio SCF calculations: Well-tempered GTF basis set calculations on transition metal halides - Huzinaga S., Klobukowski M., Barandiarán Z., Seijo L. (Journal Of Chemical Physics, 1986)

Extended model potential calculations on I2 and HI molecules - Barandiarán Z., Seijo L. (Journal Of Chemical Physics, 1986)

Matrix linearization - Seijo L., Flórez M., Pueyo L. (Computer Physics Communications, 1986)

Theoretical calculation of the pure electronic spectrum of MnF6 4- in vacuo and in RbMnF3 - Flarez M; Seijo L; Pueyo L (Physical Review b, 1986)

Association of proteins: Adaptation and coupling of two available programs - Seijo L; Coghlan B; Fraga S (Computer Physics Communications, 1986)

Structure and properties of transition?metal compounds. A systematic study of basis set effects in ab initioSCF calculations - Barandiaran Z; Seijo L; Huzinaga S; Klobukowski M (International Journal Of Quantum Chemistry, 1986)

Ab initio calculations on transition metal compounds using small minimal GTO basis sets - Seijo L; Barandiaran Z; Klobukowski M; Huzinaga S (Chemical Physics Letters, 1985)

New developments in the model potential method: ScO molecule - Andzelm J., Radzio E., Barandiarán Z., Seijo L. (Journal Of Chemical Physics, 1985)

Linear expansion of the eigenvalues of a Hermitian matrix and its application to the analysis of the electronic spectra of 3d ions in crystals - Seijo L; Pueyo L (Journal Of Solid State Chemistry, 1985)

On the importance of an accurate representation of the Ewald potential throughout the cluster volume in the calculation of the cluster-lattice interaction - Barandiarán Z; Seijo L; Pueyo L (Journal Of Solid State Chemistry, 1984)

Quintet-triplet electronic transitions and nephelauxetic effects in CrF4-6. Results of an SCF MO calculation - Seijo L; Pueyo L; Beltra ?n F (Journal Of Solid State Chemistry, 1982)

The ab initio model potential method - 2nd-series transition-metal elements - BARANDIARAN, Z; SEIJO, L; HUZINAGA, S; (Journal Of Chemical Physics, 1990)

The ab initio model potential method - 1st series transition-metal elements - SEIJO, L; BARANDIARAN, Z; HUZINAGA, S; (Journal Of Chemical Physics, 1989)

Ab initio model-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies of in oxide and fluoride octahedral coordination - Pascual J; Seijo L; Barandiarán Z (Physical Review b, 1996)

Ab Initio theoretical study of the 4f8 and 4f75d manifolds of Tb3+-doped BaF2 cubic sites - Pascual J., Barandiarán Z., Seijo L. (Journal Of Luminescence, 2014)

Theoretical study of the effects of F to Cl substitution on the electronic structre and the luminescence properties of Cs2GeF6:Os4+ and Cs2ZrCl6:Os4+ materials. - Pascual J; Barandiarán Z; Seijo L (Journal Of Chemical Physics, 2006)