We present here our theoretical model that allows to
predict, for the first time, the luminescence properties of a new
phosphor (BaSnSi3O9:Eu2+) before the experiment is performed. The
predicted emission wavelength, 488 nm with a 64 nm bandwidth, is
confirmed by subsequent experimental work. The method consists in
a multielectronic Hamiltonian parametrized from ab initio calculations.
The luminescence properties of other similar compounds
(BaHfSi3O9:Eu2+ and BaZrSi3O9:Eu2+), for which there is already
experimental information, are also correctly reproduced.
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