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Physical Measurement Laboratory

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

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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

 

Atomic / molecular / quantum and Reference data
Created October 15, 2015, Updated April 24, 2017