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Pascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1993) Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts. The Journal of Chemical Physics, 98 (12). 9715-9724 doi:10.1063/1.464350

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Reference TypeJournal (article/letter/editorial)
TitleAb initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts
JournalThe Journal of Chemical Physics
AuthorsPascual, José LuisAuthor
Seijo, LuisAuthor
Barandiarán, ZoilaAuthor
Year1993 (June 15)Volume98
Issue12
PublisherAIP Publishing
DOIdoi:10.1063/1.464350Search in ResearchGate
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Mindat Ref. ID2201473Long-form Identifiermindat:1:5:2201473:5
GUID0
Full ReferencePascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1993) Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts. The Journal of Chemical Physics, 98 (12). 9715-9724 doi:10.1063/1.464350
Plain TextPascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1993) Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts. The Journal of Chemical Physics, 98 (12). 9715-9724 doi:10.1063/1.464350
In(1993, June) The Journal of Chemical Physics Vol. 98 (12) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

Pascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1995) Ab initio model potential study of the optical absorption spectrum of Mn2+‐doped CaF2. The Journal of Chemical Physics, 103 (12). 4841-4846 doi:10.1063/1.470619
Seijo, Luis, Barandiarán, Zoila, Pettersson, Lars G. M. (1993) Ab initio model potential study of pressure effects on K2NaGaF6:Cr3+. The Journal of Chemical Physics, 98 (5). 4041-4046 doi:10.1063/1.464034
Pascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1996) Ab initiomodel-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies ofCr2+in oxide and fluoride octahedral coordination. Physical Review B, 53 (3) 1138-1145 doi:10.1103/physrevb.53.1138
Seijo, Luis, Barandiarán, Zoila (1991) Ab initio model potential study of local distortions around Cr+ and Cr3+ defects in fluorite. The Journal of Chemical Physics, 94 (12). 8158-8164 doi:10.1063/1.460098
Llusar, Rosa, Casarrubios, Marcos, Barandiarán, Zoila, Seijo, Luis (1996) Ab initio model potential calculations on the electronic spectrum of Ni2+‐doped MgO including correlation, spin–orbit and embedding effects. The Journal of Chemical Physics, 105 (13). 5321-5330 doi:10.1063/1.472376
López‐Moraza, Sara, Pascual, José Luis, Barandiarán, Zoila (1995) Ab initio model potential embedded‐cluster study of V2+‐doped fluoroperovskites: Effects of different hosts on the local distortion and electronic structure of 4T2g–4A2g laser levels. The Journal of Chemical Physics, 103 (6). 2117-2125 doi:10.1063/1.469688
Barandiarán, Zoila, Seijo, Luis (1988) The ab initio model potential representation of the crystalline environment. Theoretical study of the local distortion on NaCl:Cu+. The Journal of Chemical Physics, 89 (9). 5739-5746 doi:10.1063/1.455549
Pascual, José Luis, Barandiarán, Zoila, Seijo, Luis (2006) Theoretical study of the effects of F to Cl chemical substitution on the electronic structure and the luminescence properties of Cs2GeF6:Os4+ and Cs2ZrCl6:Os4+ materials. The Journal of Chemical Physics, 124 (12). 124315pp. doi:10.1063/1.2180772
Seijo, Luis, Barandiarán, Zoila (2001) Structure and spectroscopy of Pa4+ defects in Cs2ZrCl6. An ab initio theoretical study. The Journal of Chemical Physics, 115 (12). 5554-5560 doi:10.1063/1.1398092
Huzinaga, Sigeru, Seijo, Luis, Barandiarán, Zoila, Klobukowski, Mariusz (1987) The ab initio model potential method. Main group elements. The Journal of Chemical Physics, 86 (4). 2132-2145 doi:10.1063/1.452111
Seijo, Luis, Barandiarán, Zoila, Huzinaga, Sigeru (1989) The ab initio model potential method. First series transition metal elements. The Journal of Chemical Physics, 91 (11). 7011-7017 doi:10.1063/1.457317
 
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