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Clementi-Raimondi Effective Nuclear Charge Navigation

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Clementi-Raimondi Effective Nuclear Charge

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Element

Orbital Exponent

( ζ )

Principle Quantum Number

( n )

Effective Nuclear Charge

( Zeff = ζ × n )

Aluminum

1s

12.5910

1

12.5910

2s

 4.1068

2

 8.2136

2p

 4.4817

2

 8.9634

3s

 1.3724

3

 4.1172

3p

 1.3552

3

 4.0656

Antimony

1s

49.9744

1

49.9744

2s

18.7977

2

37.5954

2p

23.4363

2

46.8726

3s

11.0697

3

33.2091

3p

11.0613

3

33.1839

4s

 5.8859

4

23.544 

3d

12.2666

3

36.7998

4p

 5.5453

4

22.181 

5s

 2.3222

5

11.611 

4d

 4.7436

4

18.974 

5p

 1.9989

5

 9.9945

Argon

1s

17.5075

1

17.5075

2s

 6.1152

2

12.230 

2p

 7.0041

2

14.008 

3s

 2.5856

3

 7.7568

3p

 2.2547

3

 6.7641

Arsenic

1s

32.2783

1

32.2783

2s

12.0635

2

24.1270

2p

14.5368

2

29.0736

3s

 6.1985

3

18.596 

3p

 5.9499

3

17.850 

4s

 2.2360

4

 8.9440

3d

 5.7928

3

17.378 

4p

 1.8623

4

 7.4492

Astatine

1s

83.3554

1

83.3554

2s

31.3338

2

62.6676

2p

40.2238

2

80.4476

3s

20.1173

3

60.3519

3p

20.4992

3

61.4976

4s

12.3339

4

49.3356

3d

23.8615

3

71.5845

4p

12.1210

4

48.4840

5s

 6.5867

5

32.934 

4d

11.7624

4

47.0496

5p

 6.2080

5

31.040 

6s

 2.8833

6

17.300 

4f

11.8101

4

47.2404

5d

 5.2678

5

26.339 

6p

 2.5272

6

15.163 

Barium

1s

54.8861

1

54.8861

2s

20.6234

2

41.2468

2p

25.9048

2

51.8096

3s

12.3852

3

37.1556

3p

12.4388

3

37.3164

4s

 6.9800

4

27.920 

3d

14.0081

3

42.0243

4p

 6.7008

4

26.803 

5s

 3.3239

5

16.620 

4d

 5.9460

4

23.784 

5p

 2.9601

5

14.800 

6s

 1.2625

6

 7.5750

Beryllium

1s

 3.6848

1

 3.6848

2s

 0.9560

2

 1.912 

Bismuth

1s

81.3982

1

81.3982

2s

30.5880

2

61.1760

2p

39.2335

2

78.4670

3s

19.6285

3

58.8855

3p

19.9774

3

59.9322

4s

11.9268

4

47.7072

3d

23.1805

3

69.5415

4p

11.7126

4

46.8504

5s

 6.2058

5

31.029 

4d

11.3098

4

45.2392

5p

 5.8042

5

29.021 

6s

 2.5400

6

15.240 

4f

11.2673

4

45.0692

5d

 4.8488

5

24.244 

6p

 2.2233

6

13.340 

Boron

1s

 4.6795

1

 4.6795

2s

 1.2881

2

 2.5762

2p

 1.2107

2

 2.4214

Bromine

1s

34.2471

1

34.2471

2s

12.8217

2

25.6434

2p

15.5282

2

31.0564

3s

 6.7395

3

20.218 

3p

 6.5236

3

19.571 

4s

 2.6382

4

10.553 

3d

 6.5197

3

19.559 

4p

 2.2570

4

 9.0280

Cadmium

1s

47.0256

1

47.0256

2s

17.6929

2

35.3858

2p

21.9545

2

43.9090

3s

10.2804

3

30.8412

3p

10.2305

3

30.6915

4s

 5.2173

4

20.869 

3d

11.2023

3

33.6069

4p

 4.8528

4

19.411 

5s

 1.6384

5

 8.1920

4d

 3.9692

4

15.877 

Calcium

1s

19.4730

1

19.4730

2s

 6.8882

2

13.776 

2p

 8.0207

2

16.041 

3s

 3.2005

3

 9.6015

3p

 2.8861

3

 8.6583

4s

 1.0995

4

 4.3980

Carbon

1s

 5.6727

1

 5.6727

2s

 1.6083

2

 3.2166

2p

 1.5679

2

 3.1358

Cerium

1s

56.8481

1

56.8481

2s

21.3700

2

42.7400

2p

26.8912

2

53.7824

3s

12.8864

3

38.6592

3p

12.9865

3

38.9595

4s

 7.4200

4

29.680 

3d

14.6951

3

44.0853

4p

 7.1516

4

28.606 

5s

 3.7827

5

18.914 

4d

 6.4152

4

25.661 

5p

 3.3931

5

16.966 

6s

 1.7994

6

10.796 

4f

 0.4190

4

 1.676 

Cesium

1s

53.9043

1

53.9043

2s

20.2558

2

40.5116

2p

25.4098

2

50.8196

3s

12.1258

3

36.3774

3p

12.1926

3

36.5778

4s

 6.7606

4

27.042 

3d

13.6602

3

40.9806

4p

 6.4644

4

25.858 

5s

 3.0889

5

15.444 

4d

 5.7096

4

22.838 

5p

 2.7302

5

13.651 

6s

 1.0605

6

 6.3630

Chlorine

1s

16.5239

1

16.5239

2s

 5.7152

2

11.430 

2p

 6.4966

2

12.993 

3s

 2.3561

3

 7.0683

3p

 2.0387

3

 6.1161

Chromium

1s

23.4138

1

23.4138

2s

 8.4919

2

16.984 

2p

10.0376

2

20.0752

3s

 4.1226

3

12.368 

3p

 3.8220

3

11.466 

4s

 1.2833

4

 5.1332

3d

 3.2522

3

 9.7566

Cobalt

1s

26.3668

1

26.3668

2s

 9.7025

2

19.405 

2p

11.5462

2

23.0924

3s

 4.7741

3

14.322 

3p

 4.4782

3

13.435 

4s

 1.3941

4

 5.5764

3d

 3.9518

3

11.855 

Copper

1s

28.3386

1

28.3386

2s

10.5099

2

21.0198

2p

12.5485

2

25.0970

3s

 5.1981

3

15.594 

3p

 4.9102

3

14.731 

4s

 1.4606

4

 5.8424

3d

 4.4002

3

13.201 

Dysprosium

1s

64.7086

1

64.7086

2s

24.3547

2

48.7094

2p

30.8398

2

61.6796

3s

15.1311

3

45.3933

3p

15.2935

3

45.8805

4s

 8.6480

4

34.592 

3d

17.4433

3

52.3299

4p

 8.4565

4

33.826 

5s

 3.8608

5

19.304 

4d

 7.7545

4

31.018 

5p

 3.4254

5

17.127 

6s

 1.3906

6

 8.3436

4f

 6.6340

4

26.536 

Erbium

1s

66.6737

1

66.6737

2s

25.1008

2

50.2016

2p

31.8270

2

63.6540

3s

15.6923

3

47.0769

3p

15.8703

3

47.6109

4s

 9.0580

4

36.232 

3d

18.1201

3

54.3603

4p

 8.7773

4

35.109 

5s

 3.9436

5

19.718 

4d

 8.0678

4

32.271 

5p

 3.4944

5

17.472 

6s

 1.4127

6

 8.4762

4f

 6.9946

4

27.978 

Europium

1s

61.7609

1

61.7609

2s

23.2354

2

46.4708

2p

29.3590

2

58.7180

3s

14.2894

3

42.8682

3p

14.4280

3

43.2840

4s

 8.2170

4

32.868 

3d

16.4176

3

49.2528

4p

 7.9687

4

31.875 

5s

 3.7180

5

18.590 

4d

 7.2352

4

28.941 

5p

 3.3110

5

16.555 

6s

 1.3536

6

 8.1216

4f

 6.0800

4

24.320 

Fluorine

1s

 8.6501

1

 8.6501

2s

 2.5638

2

 5.1276

2p

 2.5500

2

 5.1000

Gadolinium

1s

62.7435

1

62.7435

2s

23.6085

2

47.2170

2p

29.8527

2

59.7054

3s

14.5699

3

43.7097

3p

14.7164

3

44.1492

4s

 8.3610

4

33.444 

3d

16.7590

3

50.2770

4p

 8.1617

4

32.647 

5s

 3.7764

5

18.882 

4d

 7.4084

4

29.634 

5p

 3.3528

5

16.764 

6s

 1.3691

6

 8.2146

4f

 6.2534

4

25.014 

References    (Click the button next to a value above to see complete citation information for that entry)

Clementi, E., and D. L. Raimondi. "Atomic Screening Constants from SCF Functions." Journal of Chemical Physics, volume 38, number 11, 1963, pp. 2686–2689. doi:10.1063/1.1733573

Clementi, E., D. L. Raimondi, and W. P. Reinhardt. "Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons." Journal of Chemical Physics, volume 47, number 4, 1967, pp. 1300–1307. doi:10.1063/1.1712084