| 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 |
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 |
| 3 |
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 |
| 4 |
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 |
| 5 |
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 |
| 6 |
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 |
| 7 |
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 |
| 8 |
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 |
| 9 |
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 |
| 10 |
Quantum chemical analysis of the bond lengths in f(n) and f(n-1) d(1) states of Ce3+, Pr3+, Pa4+, and U4+ defects in chloride hosts
Barandiaran Z, Seijo L
Journal of Chemical Physics, 119(7), 3785, 2003 |
