Table 1 Comparison of experimental and theoretical electronic excitation energies (T0, in cm−1) in RaF

From: Electron correlation and relativistic effects in the excited states of radium monofluoride

State

Experiment

Theory

Agreement

X2Σ1/2

0

0

 

A2Π1/2

13,284.427(1)stat(20)systa

13,299(36)

99.89

B2Δ3/2

14,333.00(161)stat(51)syst

14,300(61)

99.77

(B2Δ5/2)

15,140.36(48)stat(51)syst

15,099(70)

99.73

A2Π3/2

15,335.73(49)stat(62)syst

15,355(35)

99.87

C2Σ1/2

16,612.06(18)stat(51)syst

16,615(69)

99.98

D2Π1/2

22,289.47(29)stat(51)syst

22,320(169)

99.86

D2Π3/2

22,651.09(31)stat(51)syst

22,673(170)

99.90

E2Σ1/2

25,451.12(11)stat(26)syst

25,520(84)

99.73

F2Σ1/2

27,919.57(180)stat(51)syst

28,019(257)

99.64

G2Π1/2

28,774.07(51)stat(35)syst

28,824(111)

99.83

G2Π3/2

29,225.64(25)stat(51)syst

29,284(90)

99.80

(H2Σ1/2)

29,665.54(67)stat(51)syst

29,663(156)

99.99

(I2Δ3/2)

29,693.15(24)stat(51)syst

29,715(102)

99.92

(I2Δ5/2)

29,801.59(7)stat(35)syst

29,852(106)

99.83

  1. The theoretical values correspond to the 69e-extAE4Z calculations with 27e-T, CBS, Gaunt, and QED corrections (wide diamonds in Fig. 2). The normalized theoretical agreement (%) is reported as \(1-\frac{| {E}_{{{\rm{th}}}}-{E}_{\exp }| }{{E}_{\exp }}\). Parentheses denote tentative assignment. Statistical and systematic errors are noted next to the corresponding brackets and defined in the Supplementary Information.
  2. aValue from ref. 17.