Zoila Barandiarán

Papers authored by Zoila Barandiarán

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2003 Luis Seijo, Zoila Barandiarán

High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. Anab initioembedded cluster study

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Luis Seijo, Zoila Barandiaran

, A. Ordejon, Belen Ordejon

Transferability of core potentials to f and d states of lanthanide and actinide ions

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Belén Ordejón, Luis Seijo, Zoila Barandiarán

Quantum chemical study of the lanthanide bond length contraction on Ln[sup 3+]-doped Cs[sub 2]NaYCl[sub 6] crystals (Ln=Ce to Lu)

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Zoila Barandiarán

, Luis Seijo

Structure and spectroscopy of U[sup 4+] defects in Cs[sub 2]ZrCl[sub 6]: Ab initio theoretical studies on the 5f [sup 2] and 5f [sup 1]6d[sup 1] manifolds

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2002 José Luis Pascual, Zoila Barandiarán

, Luis Seijo

On the nature of the ground state of Cr(V) defects in YVO4: An ab initio model potential embedded-cluster study: Potential Embedded-Cluster Study

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2001 Luis Seijo, Zoila Barandiarán

Structure and spectroscopy of Pa4+ defects in Cs2ZrCl6: an ab initio theoretical study

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J. L. Pascual, Z. Barandiarán

, L. Seijo

Ab initio model potential embedded-cluster calculation of the geometric structure of Tl+ monomer and dimer centers in KCl

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Z. Barandiaran

, L. Seijo

Alternative configuration interaction expansions for transition metal ions with intermediate oxidation states in crystals: The structure and absorption spectrum of Cs2GeF6 : Mn4+

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Luis Seijo, Zoila Barandiarán

, Eduardo Harguindey

The ab initio model potential method: lanthanide and actinide elements

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1998 Abdalla Al-Abdalla, Luis Seijo, Zoila Barandiarán

Ab initio model potential embedded cluster study of the structure and spectroscopy of V3+-doped elpasolites K2NaScF6, Cs2NaYCl6 and Cs2NaYBr6

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Sara López-Moraza, Luis Seijo, Zoila Barandiarán

Multiple-excited-state absorption ofV2+in low-field crystals: Anab initiomodel-potential embedded-cluster study

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Abdalla Al-Abdalla, Luis Seijo, Zoila Barandiarán

A new interpretation of the bonding and spectroscopy of the tetraoxoferrate(VI) FeO[sub 4][sup 2−] ion

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Abdalla Al-Abdalla, Zoila Barandiarán

, Luis Seijo, Roland Lindh

Ab initio model potential embedded-cluster study of the ground and lowest excited states of Cr[sup 3+] defects in the elpasolites Cs[sub 2]NaYCl[sub 6] and Cs[sub 2]NaYBr[sub 6]

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1996 José Luis Pascual, Luis Seijo, Zoila Barandiarán

Ab initiomodel-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies ofCr2+in oxide and fluoride octahedral coordination

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Rosa Llusar, Marcos Casarrubios, Zoila Barandiarán

, Luis Seijo

Ab initio model potential calculations on the electronic spectrum of Ni2+ -doped MgO including correlation, spin–orbit and embedding effects

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S. LopezMoraza, Sara López-Moraza, Zoila Barandiarán

Excited-state absorption spectra of V2+-doped fluoroperovskites. An ab initio model potential embedded-cluster study

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1995 José Luis Pascual, Luis Seijo, Zoila Barandiarán

Ab initio model potential study of the optical absorption spectrum of Mn(2+)-doped CaF2

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S. Lopezmoraza, J. L. Pascual, Z. Barandiaran

Ab-Initio Model Potential Embedded-Cluster Study of V2+-Doped Fluoroperovskites - Effects of Different Hosts on the Local Distortion and Electronic-Structure of T-4(2g)-(4)a(2g) Laser Levels

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1994 Z. Barandiaran

, L. Seijo

QUASI-RELATIVISTIC AB-INITIO MODEL POTENTIAL CALCULATIONS ON THE GROUP-IV HYDRIDES (XH(2), XH(4), X=SI, GE, SN, PB) AND OXIDES (XO, X=GE, SN, PB)

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Z. Barandiaran

, L. Seijo

Embedded-Cluster Calculations

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Papers authored by Zoila Barandiarán