Atomic Reference Data for Electronic Structure Calculations

Table version

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

---