"1"^^ . "crystal-field; transitions; luminescence; lanhanides"@en . "Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+"@en . "8"^^ . "25" . . "[9A95F81562A1]" . . "RIV/61388963:_____/13:00398444!RIV14-AV0-61388963" . . "Calculated energy levels from recent ab initio studies of the electronic structure of SrCl2:Yb2+ and CsCaBr3:Yb2+ are fitted with a semi-empirical 'crystal-field' Hamiltonian, which acts within the model space 4f(14) + 4f(13)5d + 4f(13)6s. Parameters are obtained for the minima of the potential energy curves for each energy level and also for a range of anion-cation separations. The parameters are compared with published parameters fitted to experimental data and to atomic calculations. The states with significant 4f(13)6s character give a good approximation to the impurity-trapped exciton states that appear in the ab initio calculations."@en . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "Journal of Physics-Condensed Matter" . "000324920400012" . . . . . . "Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+"@en . . . "I" . "Sanchez-Sanz, Goar" . "Salkeld, A. J." . . "Calculated energy levels from recent ab initio studies of the electronic structure of SrCl2:Yb2+ and CsCaBr3:Yb2+ are fitted with a semi-empirical 'crystal-field' Hamiltonian, which acts within the model space 4f(14) + 4f(13)5d + 4f(13)6s. Parameters are obtained for the minima of the potential energy curves for each energy level and also for a range of anion-cation separations. The parameters are compared with published parameters fitted to experimental data and to atomic calculations. The states with significant 4f(13)6s character give a good approximation to the impurity-trapped exciton states that appear in the ab initio calculations." . "Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+" . "71859" . "Wells, J. P. R." . "Sanchez-Sanz, Goar" . "Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+" . "6"^^ . . "10.1088/0953-8984/25/41/415504" . . . "41" . "RIV/61388963:_____/13:00398444" . "Reid, M. F." . "Barandiar\u00E1n, Z." . "Seijo, L." . "0953-8984" . .