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 (original) (raw)

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

Luis Seijo

2003, The Journal of Chemical Physics