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Hartree - Fock wave functions (Z ≥ 19)

N 2S+1 L

Z= N-1

negative ions

Z= N

atoms

Z= N+1

positive ions
18 (3p 6) 1 S

K+

Table 1   3
19 (4s 1) 2 S

K 0

Table 1   2   3

Ca+

Table 1
20 (4s 2) 1 S

K-

Table 1

Ca0

Table 1   2   3

Sc+

Table 1
21 (3d 14s 2 ) 2 D

Sc0

Table 1   2   3

Ti+

Table 1
22 (3d 24s 2 ) 3 F

Sc-

Table 1

Ti0

Table 1   2   3

V+

Table 1
23 (3d 34s 2 ) 4 F

Ti-

Table 1

V0

Table 1   2   3

Cr+

Table 1
24 (3d 54s 1 ) 7 S

V-

Table 1

Cr0

Table 1   2   3

Mn+

Table 1
25 (3d 54s 2 ) 6 S

Cr-

Table 1

Mn0

Table 1   2   3

Fe+

Table 1
26 (3d 64s 2 ) 5 D

Mn-

Table 1

Fe0

Table 1   2   3

Co+

Table 1
27 (3d 74s 2 ) 4 F

Fe-

Table 1

Co0

Table 1   2   3

Ni+

Table 1
28 (3d 84s 2 ) 3 F

Co-

Table 1

Ni0

Table 1   2   3

Cu+

Table 1   3
29 (3d 104s 1 ) 2 S

Ni-

Table 1

Cu0

Table 1   2   3

Zn+

Table 1
30 (3d 104s 2 ) 1 S

Cu-

Table 1

Zn0

Table 1   2   3

Ga+

Table 1
31 (4p 1 ) 2 P

Ga0

Table 1   2   3

Ge+

Table 1
32 (4p 2) 3 P

Ge0

Table 1   2   3

As+

Table 1
33 (4p 3) 4 S

Ge-

Table 1

As0

Table 1   2   3

Se+

Table 1
34 (4p 4) 3 P

As-

Table 1

Se0

Table 1   2   3

Br+

Table 1
35 (4p 5) 2 P

Se-

Table 1

Br0

Table 1   2   3

Kr+

Table 1
36 (4p 6 ) 1 S

Br-

Table 1   3

Kr0

Table 1   2   3

Rb+

Table 1
37 (5s 1 ) 2 S

Rb0

Table 1   2   3

Sr+

Table 1
38 (5s 2 ) 1 S

Rb-

Table 1

Sr0

Table 1   2   3

Y+

Table 1
39 (4d 15s 2 ) 2 D

Y0

Table 1   2   3

Zr+

Table 1
40 (4d 25s 2 ) 3 F

Zr0

Table 1   2   3

Nb+

Table 1
41 (4d 45s 1 ) 6 D

Zr-

Table 1

Nb0

Table 1   2   3

Mo+

Table 1
42 (4d 55s 1 ) 7 S

Nb-

Table 1

Mo0

Table 1   2   3

Tc+

Table 1
43 (4d 55s 2 ) 6 S

Mo-

Table 1

Tc0

Table 1   2   3

Ru+

Table 1
44 (4d 75s 1 ) 5 F

Tc-

Table 1

Ru0

Table 1   2   3

Rh+

Table 1
45 (4d 85s 1 ) 4 F

Rh0

Table 1   2   3

Pd+

Table 1
46 (4d 10 ) 1 S

Pd0

Table 1   2   3

Ag+

Table 1   3
47 (4d 105s 1 ) 2 S

Ag0

Table 1   2   3

Cd+

Table 1
48 (4d 105s 2 ) 1 S

Ag-

Table 1

Cd0

Table 1   2   3

In+

Table 1
49 (5p 1 ) 2 P

In0

Table 1   2   3

Sn+

Table 1
50 (5p 2 ) 3 P

In-

Table 1

Sn0

Table 1   2   3

Sb+

Table 1
51 (5p 3 ) 4 S

Sn-

Table 1

Sb0

Table 1   2   3

Te+

Table 1
52 (5p 4 ) 3 P

Te0

Table 1   2   3

I+

Table 1
53 (5p 5 ) 2 P

Te-

Table 1

I0

Table 1   2   3

Xe+

Table 1
54 (5p 6 ) 1 S

I-

Table 1   3

Xe0

Table 1   2   3
N 2S+1 L Z= N+2 Z= N+3 Z= N+4 Z= N+5
18 (3p 6) 1 S

Ca2+

Table 3

Sc3+

Table 3

Ti4+

Table 3

V5+

Table 3
19 (4s 1) 2 S

Ti3+

Table 3
20 (4s 2) 1 S

Ti2+

Table 3

V3+

Table 3
21 (3d 14s 2 ) 2 D

V2+

Table 3

Cr3+

Table 3

Mn4+

Table 3
22 (3d 24s 2 ) 3 F

Cr2+

Table 3

Mn3+

Table 3
23 (3d 34s 2 ) 4 F

Mn2+

Table 3

Fe3+

Table 3
24 (3d 54s 1 ) 7 S

Fe2+

Table 3

Co3+

Table 3
25 (3d 54s 2 ) 6 S

Co2+

Table 3

Ni3+

Table 3
26 (3d 64s 2 ) 5 D

Ni2+

Table 3
27 (3d 74s 2 ) 4 F

Cu2+

Table 3
28 (3d 84s 2 ) 3 F

Zn2+

Table 3

Ga3+

Table 3

Ge4+

Table 3
36 (4p 6 ) 1 S

Sr2+

Table 3

Y3+

Table 3

Zr4+

Table 3

Nb5+

Table 3
38 (5s 2 ) 1 S

Nb3+

Table 3
39 (4d 15s 2 ) 2 D

Mo3+

Table 3
40 (4d 25s 2 ) 3 F

Ru4+

Table 3
41 (4d 45s 1 ) 6 D

Ru3+

Table 3

Rh4+

Table 3
42 (4d 55s 1 ) 7 S

Rh3+

Table 3

Pd4+

Table 3
44 (4d 75s 1 ) 5 F

Pd2+

Table 3
45 (4d 85s 1 ) 4 F

Ag2+

Table 3
46 (4d 10 ) 1 S

Cd2+

Table 3

In3+

Table 3

Sn4+

Table 3

Sb5+

Table 3
48 (4d 105s 2 ) 1 S

Sn2+

Table 3

Sb3+

Table 3

References

[1] Clementi E., Roetti C. // Atomic data and Nuclear data Tables v.14, 177-478 (1974)

[2] Bunge C.F. et all, // Atomic Data and Nuclear Data Tables 53,113-162(1993)

[3] Su Z., Coppens P.// Acta Cryst. A53, 749-762 (1997);