Atomic total energies: Atomic Reference Data for Electronic Structure Calculations

Order by Element Name:

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

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 + ¹⁰⁴Rf ¹⁰⁵Db ¹⁰⁶Sg ¹⁰⁷Bh ¹⁰⁸Hs ¹⁰⁹Mt ¹¹⁰Uun ¹¹¹Uuu ¹¹²Uub ¹¹⁴Uuq

* Lanthanides ⁵⁸Ce ⁵⁹Pr ⁶⁰Nd ⁶¹Pm ⁶²Sm ⁶³Eu ⁶⁴Gd ⁶⁵Tb ⁶⁶Dy ⁶⁷Ho ⁶⁸Er ⁶⁹Tm ⁷⁰Yb ⁷¹Lu

⁺ Actinides ⁹⁰Th ⁹¹Pa ⁹²U ⁹³Np ⁹⁴Pu ⁹⁵Am ⁹⁶Cm ⁹⁷Bk ⁹⁸Cf ⁹⁹Es ¹⁰⁰Fm ¹⁰¹Md ¹⁰²No ¹⁰³Lr

BEB/BE-scaled References for Atoms*

Number Symbol Ionization			Ionization Data		Excitation Data
Number Symbol Ionization			Reference	Comparison to Experiment	Reference	Comparison to Experiment
1	H	I	[1]	Yes	[21]	3 Yes, 6 No
2	He	I	[1]	Yes	[21]	3 Yes, 6 No
3	Li	I			[21]	1 Yes, 8 No
5	B	I	[18]	No
6	C	I	[20]	Yes
7	N	I	[20]	Yes
8	O	I	[20]	Yes
13	Al	I	[18]	Yes
31	Ga	I	[18]	Yes
49	In	I	[18]	Yes

*References to other calculations and experimental measurements for each atom are shown beside the graph for that atom.