Skip to content

Home Search Authors Pakistan News Saved

SciRah

SciRah does not host or store research papers. Results come live from free, official scholarly APIs, and every paper links back to its original source.

Data sources

OpenAlex
Semantic Scholar
Crossref
CORE
arXiv
PubMed

Privacy policy Terms of service

L. Seijo · SciRah

Researcher profile · Semantic Scholar

L. Seijo

Share profile

L. Seijo — researcher profile on SciRah

h-index: 39
Works: 164
Citations: 6,425

Most-cited papers

Molcas: a program package for computational chemistry.
G. Karlström, R. Lindh, P. Malmqvist, B. Roos +7 more
20031,382 citations
Semantic Scholar
Modern quantum chemistry with [Open]Molcas.
F. Aquilante, J. Autschbach, Alberto Baiardi, S. Battaglia +35 more
2020Journal of Chemical Physics387 citations Open access
Semantic Scholar
Resolving the ambiguity in the relation between Stokes shift and Huang-Rhys parameter.
M. de Jong, L. Seijo, A. Meijerink, F. Rabouw
2015Physical Chemistry, Chemical Physics - PCCP201 citations Open access
Semantic Scholar
Broadband infrared LEDs based on europium-to-terbium charge transfer luminescence
J. Joos, D. Van der Heggen, L. Martin, L. Amidani +3 more
2020Nature Communications128 citations Open access
Semantic Scholar
Absorption and emission spectra of Ce3+ in elpasolite lattices.
P. Tanner, Chris S. K. Mak, N. Edelstein, K. Murdoch +4 more
2003Journal of the American Chemical Society94 citations Open access
Semantic Scholar
Ab initio calculations on the local structure and the 4f–5d absorption and emission spectra of Ce3+-doped YAG
J. Gracia, L. Seijo, Z. Barandiarán, Daniel Curulla +2 more
200881 citations
Semantic Scholar
Structural, electronic, and spectroscopic effects of Ga codoping on Ce-doped yttrium aluminum garnet: First-principles study
A. Muñoz-García, L. Seijo
201070 citations Open access
Semantic Scholar
Transferability of core potentials to f and d states of lanthanide and actinide ions
L. Seijo, Z. Barandiarán, Belén Ordejón
200365 citations
Semantic Scholar
Structural effects and 4f-5d transition shifts induced by La codoping in Ce-doped yttrium aluminum garnet: First-principles study
A. Muñoz-García, J. Pascual, Z. Barandiarán, L. Seijo
201063 citations Open access
Semantic Scholar
Electronic properties and 4f → 5d transitions in Ce-doped Lu2SiO5: a theoretical investigation
Lixin Ning, Li-Hua Lin, Lanlan Li, Changbao Wu +3 more
201262 citations Open access
Semantic Scholar
First-principles study of the structure and the electronic structure of yttrium aluminum garnet Y3Al5O12
A. Muñoz-García, E. Anglada, L. Seijo
200957 citations
Semantic Scholar
Intervalence charge transfer luminescence: interplay between anomalous and 5d - 4f emissions in Yb-doped fluorite-type crystals.
Z. Barandiarán, L. Seijo
2014Journal of Chemical Physics55 citations Open access
Semantic Scholar
Geometry and electronic structure of M-DNA (M=Zn2+, Co2+ and Fe2+)
S. Alexandre, J. Soler, L. Seijo, F. Zamora
200652 citations Open access
Semantic Scholar
Configuration coordinate energy level diagrams of intervalence and metal-to-metal charge transfer states of dopant pairs in solids.
Z. Barandiarán, A. Meijerink, L. Seijo
2015Physical Chemistry, Chemical Physics - PCCP49 citations Open access
Semantic Scholar
Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications.
B. Swerts, L. Chibotaru, R. Lindh, L. Seijo +4 more
2008Journal of Chemical Theory and Computation49 citations Open access
Semantic Scholar
Ce and La single- and double-substitutional defects in yttrium aluminum garnet: first-principles study.
A. Muñoz-García, L. Seijo
2011Journal of Physical Chemistry A48 citations Open access
Semantic Scholar
Broadband anti-Stokes white emission of Sr2CeO4 nanocrystals induced by laser irradiation.
W. Stręk, R. Tomala, L. Marciniak, M. Łukaszewicz +6 more
2016Physical Chemistry, Chemical Physics - PCCP47 citations
Semantic Scholar
Color Control of Pr3+ Luminescence by Electron-Hole Recombination Energy Transfer in CaTiO3 and CaZrO3.
Z. Barandiarán, Marco Bettinelli, L. Seijo
2017Journal of Physical Chemistry Letters43 citations
Semantic Scholar
Is Bi2+ Responsible for the Red-Orange Emission of Bismuth-Doped SrB4O7?
M. de Jong, A. Meijerink, R. Gordon, Z. Barandiarán +1 more
201442 citations
Semantic Scholar
Antisite defects in Ce-doped YAG (Y3Al5O12): first-principles study on structures and 4f–5d transitions
A. Muñoz-García, Z. Barandiarán, L. Seijo
201242 citations Open access
Semantic Scholar
Host effects on the optically active 4f and 5d levels of Ce3+ in garnets.
L. Seijo, Z. Barandiarán
2013Physical Chemistry, Chemical Physics - PCCP41 citations
Semantic Scholar
4f and 5d Levels of Ce3+ in D2 8-fold oxygen coordination
L. Seijo, Z. Barandiarán
201241 citations Open access
Semantic Scholar
Quantum chemical analysis of the bond lengths in fn and fn−1d1 states of Ce3+, Pr3+, Pa4+, and U4+ defects in chloride hosts
Z. Barandiarán, L. Seijo
200341 citations Open access
Semantic Scholar
Structure and spectroscopy of U4+ defects in Cs2ZrCl6: Ab initio theoretical studies on the 5f 2 and 5f 16d1 manifolds
Z. Barandiarán, L. Seijo
200340 citations
Semantic Scholar
Yb2+-doped SrCl2: electronic structure of impurity states and impurity-trapped excitons.
Goar Sánchez-Sanz, L. Seijo, Z. Barandiarán
2010Journal of Chemical Physics39 citations Open access
Semantic Scholar
Atomistic and electronic structure of antisite defects in yttrium aluminum garnet: density functional study
A. Muñoz-García, E. Artacho, L. Seijo
200939 citations Open access
Semantic Scholar
Direct Evidence of Intervalence Charge-Transfer States of Eu-Doped Luminescent Materials.
J. Joos, L. Seijo, Z. Barandiarán
2019Journal of Physical Chemistry Letters37 citations Open access
Semantic Scholar
Ab initio theoretical studies on U3+ and on the structure and spectroscopy of U3+ substitutional defects in Cs2NaYCl6, 5f 26d1 manifold
L. Seijo, Z. Barandiarán
200334 citations
Semantic Scholar
Insights into the complexity of the excited states of Eu-doped luminescent materials
J. Joos, P. Smet, L. Seijo, Z. Barandiarán
202032 citations Open access
Semantic Scholar
Intervalence charge transfer luminescence: the anomalous luminescence of cerium-doped Cs₂LiLuCl₆ elpasolite.
L. Seijo, Z. Barandiarán
2014Journal of Chemical Physics31 citations Open access
Semantic Scholar
Large splittings of the 4f shell of Ce3+ in garnets.
L. Seijo, Z. Barandiarán
2014Physical Chemistry, Chemical Physics - PCCP31 citations
Semantic Scholar
Third-order Douglas-Kroll ab initio model potential for actinide elements
Jozef Paulovič, T. Nakajima, K. Hirao, L. Seijo
200230 citations Open access
Semantic Scholar
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+.
Z. Barandiarán, L. Seijo
2013Journal of Chemical Physics28 citations Open access
Semantic Scholar
Improved embedding ab initio model potentials for embedded cluster calculations.
J. Pascual, N. Barros, Z. Barandiarán, L. Seijo
2009Journal of Physical Chemistry A28 citations Open access
Semantic Scholar
Electronic spectra of Yb2+-doped SrCl2.
Goar Sánchez-Sanz, L. Seijo, Z. Barandiarán
2010Journal of Chemical Physics27 citations Open access
Semantic Scholar
Energy gaps in the 4f(13)5d(1) manifold and multiple spontaneous emissions in Yb(2+)-doped CsCaBr(3).
Goar Sánchez-Sanz, L. Seijo, Z. Barandiarán
2009Journal of Physical Chemistry A27 citations Open access
Semantic Scholar
Ab initio theoretical study on the 4f(2) and 4f5d electronic manifolds of cubic defects in CaF2:Pr3+.
M. Krośnicki, A. Kędziorski, L. Seijo, Z. Barandiarán
2014Journal of Physical Chemistry A26 citations
Semantic Scholar
Energy Level Structure and Multiple 4f125d1 Emission Bands for Tm2+ in Halide Perovskites: Theory and Experiment
M. de Jong, A. Meijerink, L. Seijo, Z. Barandiarán
201725 citations Open access
Semantic Scholar
First-Principles Study on Structural Properties and 4f → 5d Transitions of Locally Charge-Compensated Ce3+ in CaF2
Lixin Ning, Changbao Wu, Lanlan Li, Li-Hua Lin +3 more
201225 citations Open access
Semantic Scholar
Quantum chemical study of 4f-->5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+.
F. Ruipérez, Z. Barandiarán, L. Seijo
2005Journal of Chemical Physics25 citations Open access
Semantic Scholar
Bond lengths of 4f{sup 1} and 5d{sup 1} states of Ce{sup 3+} hexahalides
Zoila Barandiarán, N. Edelstein, Belén Ordejón, F. Ruipérez +1 more
200524 citations
Semantic Scholar
Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets.
L. Seijo, Z. Barandiarán
2004Journal of Chemical Physics22 citations Open access
Semantic Scholar
Ab initio theoretical study of the 4f8 and 4f75d manifolds of Tb3+-doped BaF2 cubic sites
J. Pascual, Z. Barandiarán, L. Seijo
201420 citations
Semantic Scholar
Spin-forbidden and spin-enabled 4f(14)-->4f(13)5d(1) transitions of Yb(2+)-doped CsCaBr3.
Goar Sánchez-Sanz, L. Seijo, Z. Barandiarán
2009Journal of Chemical Physics20 citations Open access
Semantic Scholar
Geometry and electronic structure of impurity-trapped excitons in Cs2GeF6:U4+ crystals. The 5f17s1 manifold.
Belén Ordejón, L. Seijo, Z. Barandiarán
2007Journal of Chemical Physics20 citations Open access
Semantic Scholar
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 BaF2:Ce3+ crystal
J. Pascual, J. Schamps, Z. Barandiarán, L. Seijo
200620 citations Open access
Semantic Scholar
Charge transfer from Eu2+ to trivalent lanthanide co-dopants: Systematic behavior across the series.
J. Joos, I. Neefjes, L. Seijo, Z. Barandiarán
2021Journal of Chemical Physics19 citations Open access
Semantic Scholar
The Complexity of the CaF2:Yb System: A Huge, Reversible, X-ray-Induced Valence Reduction
C. MacKeen, F. Bridges, L. Seijo, Z. Barandiarán +4 more
201719 citations
Semantic Scholar
Prediction of pressure-induced redshift of f1-->d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shortening.
F. Ruipérez, L. Seijo, Z. Barandiarán
2005Journal of Chemical Physics19 citations Open access
Semantic Scholar
New Insights in 4f(12)5d(1) Excited States of Tm(2+) through Excited State Excitation Spectroscopy.
M. de Jong, D. Biner, K. Krämer, Z. Barandiarán +2 more
2016Journal of Physical Chemistry Letters17 citations
Semantic Scholar

Frequent co-authors

Invite them to SciRah by sharing their profile.

Z. Barandiarán×37
Invite
Z. Barandiarán — researcher profile on SciRah
A. Muñoz-García×6
Invite
A. Muñoz-García — researcher profile on SciRah
A. Meijerink×5
Invite
A. Meijerink — researcher profile on SciRah
M. de Jong×4
Invite
M. de Jong — researcher profile on SciRah

×4

Invite

J. Joos — researcher profile on SciRah

Invite

J. Pascual — researcher profile on SciRah

Goar Sánchez-Sanz×4

Invite

Goar Sánchez-Sanz — researcher profile on SciRah

Invite

R. Lindh — researcher profile on SciRah

Belén Ordejón×3

Invite

Belén Ordejón — researcher profile on SciRah

F. Ruipérez×3

Invite

F. Ruipérez — researcher profile on SciRah

P. Malmqvist×2

Invite

P. Malmqvist — researcher profile on SciRah

Invite

V. Veryazov — researcher profile on SciRah