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Atomic Reference Data for Electronic Structure Calculations, Atomic Total Energies and Eigenvalues (HTML)

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.

1a2a3b 4b5b6b7bVIII1b2b3a4a5a6a7a0
 
1H 2He
3Li4Be   5B6C7N8O9F10Ne
11Na12Mg   13Al14Si15P16S17Cl18Ar
19K20Ca21Sc 22Ti23V24Cr25Mn26Fe27Co28Ni29Cu30Zn31Ga32Ge33As34Se35Br36Kr
37Rb38Sr39Y 40Zr41Nb42Mo43Tc44Ru45Rh46Pd47Ag48Cd49In50Sn51Sb52Te53I54Xe
55Cs56Ba57La*72Hf73Ta74W75Re76Os77Ir78Pt79Au80Hg81Tl82Pb83Bi84Po85At86Rn
87Fr88Ra89Ac+
 
* Lanthanides58Ce59Pr60Nd61Pm62Sm63Eu64Gd65Tb66Dy67Ho68Er69Tm70Yb71Lu
+ Actinides90Th91Pa92U

 

Created October 15, 2015, Updated April 24, 2017