Table 3 The inverse screening parameters \({\mu }_{{{{\rm{u}}}}}^{{\alpha }_{s} = 0.25}\) and \({\mu }_{{{{\rm{u}}}}}^{{\alpha }_{s} = 1}\) (in bohr⁻¹) and the corresponding band gaps (in eV)

sp materials

AlN

0.00

6.63

0.70

6.43

6.71

AlP

0.31

2.61

0.61

2.47

2.60

AlAs

0.35

2.35

0.60

2.19

2.31

Ar

0.74

14.71

1.38

14.44

14.33

BN

0.00

6.89

0.69

6.74

6.74

C(diamond)

0.06

6.00

0.65

5.64

5.85

CaO

1.88

6.78

0.74

6.99

7.43

LiCl

0.98

9.92

0.84

9.78

9.57

LiF

0.78

15.47

1.11

15.62

15.43

MgO

1.11

8.49

0.80

8.39

8.47

Si

0.41

1.25

0.57

1.12

1.22

SiC

0.24

2.69

0.62

2.41

2.59

NaCl

0.86

8.95

0.94

8.70

9.14

MAE_sp

0.20

0.20

MARE_sp

3.1%

3.9%

3d materials

Ge

0.44

0.73

0.55

0.72

0.78

GaN

0.07

3.79

0.65

3.61

3.73

GaP

0.38

2.53

0.58

2.33

2.41

GaAs

0.41

1.41

0.57

1.60

1.57

InP

0.40

1.58

0.58

1.65

1.47

ZnO

0.00

3.29

0.66

3.78

3.61

ZnS

0.10

3.91

0.64

4.10

3.95

ZnSe

0.27

2.69

0.62

2.80

2.88

TiO₂

0.33

3.67

0.60

4.25

3.65

Cu₂O

0.36

2.09

0.59

2.35

2.21

CdS

0.17

2.75

0.64

2.83

2.66

CdSe

0.35

1.88

0.59

2.14

1.88

γ-CsSnI₃

0.29

1.49

0.61

1.70

1.53

MAE_d

0.10

0.17

MARE_d

4.4%

7.2%

MAE

0.15

0.18

MARE

3.8%

5.6%