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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 )

Gallium

1s

30.3094

1

30.3094

2s

11.2995

2

22.5990

2p

13.5454

2

27.0908

3s

 5.6654

3

16.996 

3p

 5.4012

3

16.204 

4s

 1.7667

4

 7.0668

3d

 5.0311

3

15.093 

4p

 1.5554

4

 6.2216

Germanium

1s

31.2937

1

31.2937

2s

11.6824

2

23.3648

2p

14.0411

2

28.0822

3s

 5.9299

3

17.790 

3p

 5.6712

3

17.014 

4s

 2.0109

4

 8.0436

3d

 5.4171

3

16.251 

4p

 1.6951

4

 6.7804

Gold

1s

77.4761

1

77.4761

2s

29.1849

2

58.3698

2p

37.2566

2

74.5132

3s

18.5876

3

55.7628

3p

18.9010

3

56.7030

4s

11.1033

4

44.4132

3d

21.8361

3

65.5083

4p

10.8867

4

43.5468

5s

 5.4655

5

27.328 

4d

10.3820

4

41.5280

5p

 5.0340

5

25.170 

6s

 1.8230

6

10.938 

4f

10.1624

4

40.6496

5d

 4.0253

5

20.126 

Hafnium

1s

70.6016

1

70.6016

2s

26.5949

2

53.1898

2p

33.7994

2

67.5988

3s

16.7705

3

50.3115

3p

16.9944

3

50.9832

4s

 9.7443

4

38.977 

3d

19.4766

3

58.4298

4p

 9.4824

4

37.930 

5s

 4.3666

5

21.833 

4d

 8.8810

4

35.524 

5p

 3.9170

5

19.585 

6s

 1.5274

6

 9.1644

4f

 8.0524

4

32.210 

5d

 3.3239

5

16.620 

Helium

1s

 1.6875

1

 1.6875

Holmium

1s

65.6912

1

65.6912

2s

24.7278

2

49.4556

2p

31.3334

2

62.6668

3s

15.4117

3

46.2351

3p

15.5818

3

46.7454

4s

 8.8280

4

35.312 

3d

17.7823

3

53.3469

4p

 8.6407

4

34.563 

5s

 3.9152

5

19.576 

4d

 7.9179

4

31.672 

5p

 3.4678

5

17.339 

6s

 1.4065

6

 8.4390

4f

 6.8674

4

27.470 

Indium

1s

48.0097

1

48.0097

2s

18.0618

2

36.1236

2p

22.4490

2

44.8980

3s

10.5436

3

31.6308

3p

10.5069

3

31.5207

4s

 5.4403

4

21.761 

3d

11.5594

3

34.6782

4p

 5.0922

4

20.369 

5s

 1.9023

5

 9.5115

4d

 4.2354

4

16.942 

5p

 1.6940

5

 8.4700

Iodine

1s

51.9391

1

51.9391

2s

19.5335

2

39.0670

2p

24.4237

2

48.8474

3s

11.5958

3

34.7874

3p

11.6138

3

34.8414

4s

 6.3243

4

25.297 

3d

12.9669

3

38.9007

4p

 6.0074

4

24.030 

5s

 2.6807

5

13.404 

4d

 5.2335

4

20.934 

5p

 2.3223

5

11.612 

Iridium

1s

75.5119

1

75.5119

2s

28.4449

2

56.8898

2p

36.2688

2

72.5376

3s

18.0686

3

54.2058

3p

18.3563

3

55.0689

4s

10.7120

4

42.8480

3d

21.1620

3

63.4860

4p

10.4785

4

41.9140

5s

 5.1691

5

25.846 

4d

 9.9343

4

39.737 

5p

 4.7322

5

23.661 

6s

 1.7611

6

10.567 

4f

 9.5862

4

38.345 

5d

 3.7392

5

18.696 

Iron

1s

25.3810

1

25.3810

2s

 9.2995

2

18.599 

2p

11.0444

2

22.0888

3s

 4.5587

3

13.676 

3p

 4.2593

3

12.778 

4s

 1.3585

4

 5.4340

3d

 3.7266

3

11.180 

Krypton

1s

35.2316

1

35.2316

2s

13.1990

2

26.3980

2p

16.0235

2

32.0470

3s

 7.0109

3

21.033 

3p

 6.8114

3

20.434 

4s

 2.8289

4

11.316 

3d

 6.8753

3

20.626 

4p

 2.4423

4

 9.7692

Lanthanum

1s

55.8683

1

55.8683

2s

20.9767

2

41.9534

2p

26.3978

2

52.7956

3s

12.6477

3

37.9431

3p

12.7132

3

38.1396

4s

 7.1991

4

28.796 

3d

14.3534

3

43.0602

4p

 6.9266

4

27.706 

5s

 3.5622

5

17.811 

4d

 6.1813

4

24.725 

5p

 3.1792

5

15.896 

6s

 1.5520

6

 9.3120

4f

 0.3400

4

 1.360 

Lead

1s

80.4195

1

80.4195

2s

30.2150

2

60.4300

2p

38.7383

2

77.4766

3s

19.3841

3

58.1523

3p

19.7165

3

59.1495

4s

11.7232

4

46.8928

3d

22.8489

3

68.5467

4p

11.5084

4

46.0336

5s

 6.0263

5

30.132 

4d

11.0799

4

44.3196

5p

 5.6060

5

28.030 

6s

 2.3500

6

14.100 

4f

10.9922

4

43.9688

5d

 4.6304

5

23.152 

6p

 2.0655

6

12.393 

Lithium

1s

 2.6906

1

 2.6906

2s

 0.6396

2

 1.279 

Lutetium

1s

69.6195

1

69.6195

2s

26.2249

2

52.4498

2p

33.3055

2

66.6110

3s

16.5115

3

49.5345

3p

16.7221

3

50.1663

4s

 9.5673

4

38.269 

3d

19.1396

3

57.4188

4p

 9.2976

4

37.190 

5s

 4.1910

5

20.955 

4d

 8.8223

4

35.289 

5p

 3.7360

5

18.680 

6s

 1.4674

6

 8.8044

4f

 7.7328

4

30.931 

5d

 4.0226

5

20.113 

Magnesium

1s

11.6089

1

11.6089

2s

 3.6960

2

 7.3920

2p

 3.9129

2

 7.8258

3s

 1.1025

3

 3.3075

Manganese

1s

24.3957

1

24.3957

2s

 8.8969

2

17.794 

2p

10.5420

2

21.0840

3s

 4.3393

3

13.018 

3p

 4.0364

3

12.109 

4s

 1.3208

4

 5.2832

3d

 3.5094

3

10.528 

Mercury

1s

78.4581

1

78.4581

2s

29.5547

2

59.1094

2p

37.7505

2

75.5010

3s

18.8471

3

56.5413

3p

19.1734

3

57.5202

4s

11.3112

4

45.2448

3d

22.1732

3

66.5196

4p

11.1015

4

44.4060

5s

 5.6222

5

28.111 

4d

10.6170

4

42.4680

5p

 5.1934

5

25.967 

6s

 1.8589

6

11.153 

4f

10.4402

4

41.7608

5d

 4.1712

5

20.856 

Molybdenum

1s

41.1256

1

41.1256

2s

15.4384

2

30.8768

2p

18.9859

2

37.9718

3s

 8.6605

3

25.982 

3p

 8.4912

3

25.474 

4s

 4.0241

4

16.096 

3d

 9.0761

3

27.228 

4p

 3.7442

4

14.977 

5s

 1.2212

5

 6.1060

4d

 2.8481

4

11.392 

Neodymium

1s

58.8132

1

58.8132

2s

22.1081

2

44.2162

2p

27.8783

2

55.7566

3s

13.4476

3

40.3428

3p

13.5630

3

40.6890

4s

 7.7466

4

30.986 

3d

15.3856

3

46.1568

4p

 7.5035

4

30.014 

5s

 3.7485

5

18.742 

4d

 6.7023

4

26.809 

5p

 3.3922

5

16.961 

6s

 1.5511

6

 9.3066

4f

 5.5665

4

22.266 

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