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Atomic Reference Data
for Electronic Structure Calculations

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Atomic total energies and eigenvalues

These tables contain the atomic total energies and orbital eigenvalues, for the ground electronic configuration of the elements H to U (Z = 1 to 92), in four variants of the local density approximation. Definition of format.

To obtain data for a particular element, click on the appropriate symbol.

1a  2a  3b  4b  5b  6b  7b     VIII     1b  2b  3a  4a  5a  6a  7a  0
H                                                                   He 

Li Be B C N O F Ne

Na Mg Al Si P S Cl Ar

K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr

Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe

Cs Ba La* Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn

Fr Ra Ac** * Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu ** Th Pa U

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