# # JACKSON library - collection of potentials # # MEG Valerio , RA Jackson and JF de Lima, J Phys Condens Matter # 12 (2000) 7727 and references therein. # # Potentials used in modelling rare earth fluorides. # # NB check rmax cutoffs for bucks # species La core 3.00 Ce core 3.00 Pr core 3.00 Nd core 3.00 Sm core 3.00 Eu core 3.00 Gd core 3.00 Tb core 3.00 Dy core 3.00 Ho core 3.00 Er core 3.00 Tm core 3.00 Yb core 3.00 Lu core 3.00 F core 0.59 F shell -1.59 buckingham La core F shell 2817.74 0.2980 0.0 0.0 12.0 Ce core F shell 2627.13 0.2980 0.0 0.0 12.0 Pr core F shell 2453.39 0.2980 0.0 0.0 12.0 Nd core F shell 2488.27 0.2950 0.0 0.0 12.0 Sm core F shell 1764.57 0.3064 0.0 0.0 12.0 Eu core F shell 2085.74 0.2950 0.0 0.0 12.0 Gd core F shell 1667.02 0.3037 0.0 0.0 12.0 Tb core F shell 1541.15 0.3065 0.0 0.0 12.0 Dy core F shell 1536.68 0.3037 0.0 0.0 12.0 Ho core F shell 2590.91 0.2809 0.0 0.0 12.0 Er core F shell 1880.44 0.2920 0.0 0.0 12.0 Tm core F shell 1390.19 0.3037 0.0 0.0 12.0 Yb core F shell 2381.55 0.2808 0.0 0.0 12.0 Lu core F shell 1448.23 0.2990 0.0 0.0 12.0 buck4 F shel F shel 1127.7 0.2753 15.83 2.0 2.79 3.031 12.0 spring F 20.77