1 |
Ab initio Theoretical Study on the 4f(2) and 4f5d Electronic Manifolds of Cubic Defects in CaF2:Pr3+ Krosnicki M, Kedziorski A, Seijo L, Barandiaran Z Journal of Physical Chemistry A, 118(2), 358, 2014 |
2 |
Ce and La Single- and Double-Substitutional Defects in Yttrium Aluminum Garnet: First-Principles Study Munoz-Garcia AB, Seijo L Journal of Physical Chemistry A, 115(5), 815, 2011 |
3 |
Energy level shifts in two-step spin-orbit coupling ab initio calculations Sanchez-Sanz G, Barandiaran Z, Seijo L Chemical Physics Letters, 498(1-3), 226, 2010 |
4 |
Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations Pascual JL, Barros N, Barandiaran Z, Seijo L Journal of Physical Chemistry A, 113(45), 12454, 2009 |
5 |
Energy Gaps in the 4f(13)5d(1) Manifold and Multiple Spontaneous Emissions in Yb2+-Doped CsCaBr3 Sanchez-Sanz G, Seijo L, Barandiaran Z Journal of Physical Chemistry A, 113(45), 12591, 2009 |
6 |
The 5f(3) manifold of the free-ion U3+ : Ab initio calculations Ruiperez F, Roos BO, Barandiaran Z, Seijo L Chemical Physics Letters, 434(1-3), 1, 2007 |
7 |
Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets Seijo L, Barandiaran Z Journal of Chemical Physics, 121(14), 6698, 2004 |
8 |
High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. An ab initio embedded cluster study Seijo L, Barandiaran Z Journal of Chemical Physics, 118(4), 1921, 2003 |
9 |
Ab initio theoretical studies on U3+ and on the structure and spectroscopy of U3+ substitutional defects in Cs2NaYCl6, 5f (2)6d(1) manifold Seijo L, Barandiaran Z Journal of Chemical Physics, 118(12), 5335, 2003 |
10 |
Structure and spectroscopy of U4+ defects in Cs2ZrCl6: Ab initio theoretical studies on the 5f (2) and 5f (1)6d(1) manifolds Barandiaran Z, Seijo L Journal of Chemical Physics, 118(16), 7439, 2003 |