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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.

1a2a3b 4b5b 6b7bVIII1b 2b3a4a5a6a7a0
1H
2He
3Li
4Be
5B
6C
7N
8O
9F
10Ne
11Na
12Mg
13Al
14Si
15P
16S
17Cl
18Ar
19K
20Ca
21Sc
22Ti
23V
24Cr
25Mn
26Fe
27Co
28Ni
29Cu
30Zn
31Ga
32Ge
33As
34Se
35Br
36Kr
37Rb
38Sr
39Y
40Zr
41Nb
42Mo
43Tc
44Ru
45Rh
46Pd
47Ag
48Cd
49In
50Sn
51Sb
52Te
53I
54Xe
55Cs
56Ba
57La
*
72Hf
73Ta
74W
75Re
76Os
77Ir
78Pt
79Au
80Hg
81Tl
82Pb
83Bi
84Po
85At
86Rn
87Fr
88Ra
89Ac
+
* Lanthanides
58Ce
59Pr
60Nd
61Pm
62Sm
63Eu
64Gd
65Tb
66Dy
67Ho
68Er
69Tm
70Yb
71Lu
+ Actinides 90Th 91Pa 92U

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