Table 2 The fitted parameters of the CTM model and arctangent weighted function.

From: Autonomous atomic Hamiltonian construction and active sampling of X-ray absorption spectroscopy by adversarial Bayesian optimization

 

Ref. 9

Step 5

Step 12

Step 20

Udd

7.3

7.36

7.67

7.31

Upd

8.5

8.00

8.01

8.70

∆

4.7

3.63

3.84

4.33

\(F_{dd}^2\)

11.14

11.20

11.84

11.54

\(F_{dd}^4\)

6.87

6.84

6.57

6.78

\(F_{pd}^2\)

6.67

6.64

6.19

6.47

\(G_{pd}^1\)

4.92

5.94

5.82

6.03

\(G_{pd}^3\)

2.8

3.58

3.07

1.84

10Dq

0.56

1.18

1.20

1.36

10DqL

1.44

2.09

1.92

1.42

Veg

2.06

1.21

1.58

1.80

Vt2g

1.21

0.83

1.12

0.88

ξ3d

0.081

0.17

0.12

0.15

ξ2p

11.51

11.43

11.54

11.49

Bex

0.12

0.14

0.13

0.16

A1

 

33.57

31.32

30.41

A2

 

16.61

19.53

13.57

u1

 

11.74

15.00

14.52

u2

 

6.69

4.75

3.81

c1

 

0.69

0.34

0.18

c2

 

0.77

0.46

0.06

Loss

 

7.40

8.07

8.63

Points

 

17

24

32

Back to article page