Contans

Z^*

θ_a,

θ_b,

−V

−E, eV

−V_e

−E_e, eV

E_e−e, eV eVev

R_e × 10⁻¹⁰ m

D_e, eV

1

50.953

50.953

1.2063e²/L

19.799

1.553e²/r

32.826

---

1.107

6.193

H₂(1s²)

1

π/3

π/3

2 × 1.5e²/L

61.227

2 × 1.73205e²/r

81.636

29.830

0.71

4.19

H₂(1s¹2s¹)

1

51.206

80.8035

1.5e²/L₁ + 1.5e²/L₂

38.267

2 × 1.73205e²/r₂

51.022

6.836

1.13

4.22

HF

1.2632

37.200

61.900

1.092318e²/L_H

16.234

1.645856e²/r

36.857

---

0.883

2.628

HF_improved

1.4132

32.47024

65.4662

1.067957e²/L_H

15.518

1.668408e²/r

37.873

---

0.912

1.9

He₂⁺

1.25488

47.1965

47.1965

1.35100e²/L

24.834

1.84138e²/r

46.134

---

1.07

3.408

He₂

1.2674

57.2416˚

57.2416˚

2 × 1.7927e²/L

87.453

2 × 2.2537e²/r

136.214

38.988

0.851

−4.751

Li₂

1.2590

57.3229

57.3229

2 × 1.7840e²/L

21.653

2 × 2.1155e²/r

30.562

9.675

2.56

1.19

Na₂

1.84374

52.186

52.186

2 × 2.3013e²/L

16.013

2 × 2.81406e²/r

25.6578

3.042

5.08

−0.78

K₂

2.2593

48.998

48.998

2 × 2.5586e²/L

11.1343

2 × 3.41015e²/r

19.781

2.139

8.52

0.314

NaH

0.99374

51.4697

0.5340

0.745293e²/L_H

13.471

1.48294e²/r

29.921

---

0.871

−0.127