(1s1s) 1 S Z=10 Ne 8+
Table 1. Novikov N.V. // Wave Function Value Database http://cdfe.sinp.msu.ru/services/wftables/
| j | R n1,l1 (α1,r) | R n2,l2 (α2,r) | g | ||
| n1 l1 | α1 | n2 l2 | α2 | ||
| 1 | 1s | 8.4785 | 1s | 10.8254 | 0.7197596784633017E+00 |
| 2 | 1s | 16.2411 | 4s | 69.0476 | 0.1785004002588988E-02 |
| 3 | 1s | 16.1941 | 2s | 24.4359 | -0.5678903863075450E-02 |
| 4 | 2s | 77.5422 | 4s | 75.3627 | 0.1540285711911466E-02 |
| 5 | 1s | 13.4978 | 3s | 27.4461 | -0.9133750319699298E-02 |
| 6 | 1s | 11.1351 | 2s | 29.3831 | 0.1240865685670732E-01 |
| 7 | 2s | 41.9019 | 3s | 63.7052 | -0.1648249663680961E-02 |
| 8 | 3s | 80.6929 | 4s | 72.2607 | -0.2245650196805501E-02 |
| 9 | 4s | 93.4006 | 5s | 103.6983 | -0.5254245652782102E-03 |
| 10 | 2p | 25.8017 | 2p | 25.8017 | 0.1495660611846741E-01 |
| 11 | 2p | 52.4360 | 3p | 55.8933 | 0.2612727632821785E-02 |
| 12 | 4p | 78.5897 | 4p | 78.5897 | 0.1036453936987154E-02 |
| 13 | 2p | 30.7819 | 4p | 69.7980 | -0.1892967954358484E-02 |
| 14 | 3p | 136.7174 | 4p | 133.1894 | 0.2591134842467886E-03 |
| 15 | 3d | 67.9336 | 3d | 67.9336 | -0.2483170890698391E-02 |
| 16 | 4d | 104.1949 | 4d | 104.1949 | -0.1144417888756650E-02 |
| 17 | 5d | 143.7466 | 5d | 143.7466 | -0.4174606135087150E-03 |
| 18 | 3d | 34.2534 | 5d | 94.7967 | -0.3886702263701829E-03 |
| 19 | 4f | 113.1297 | 4f | 113.1297 | 0.9644779691408243E-03 |
| 20 | 5f | 147.8960 | 5f | 147.8960 | 0.4822389845704121E-03 |
| 21 | 5g | 165.1137 | 5g | 165.1137 | -0.4534485974318801E-03 |
Energy= -93.90591853 a.u.
Table 2. Clementi E., Roetti C. // At. Data Nucl. Data Tables 14, 177, (1974)
Ψ( r 1 , r 2 ) = F( r 1 ) F( r 2 ) ; F( r ) = Σ j C j φ 1s ( α j , r )
| j | R n,l (α,r) | C | |
| n l | α | ||
| 1 | 1s | 9.45544 | 0.96961 |
| 2 | 1s | 17.36970 | 0.03573 |
| 3 | 1s | 27.77710 | -0.00138 |
Energy= -93.861111 a.u.
Table 3 Hart J.F., Herzberg G. // Phys. Rev. 106, 79, (1957)
Ψ( r , L,M,S) = N exp ( -0.5 ks) [ 1 + a 1 u + a 2 t 2 + a 3 s + a 4 s 2 + a 5 u 2 + a 6 su + a 7 t 2 u + a 8 u 3 + a 9 t 2 u 2 + a 10 t 2 s + a 11 s 3 + a 12 t 2 u 4 + a 13 u 4 + a 14 u 5 + a 15 t 2 u 3 + a 16 t 2 s 2 + a 17 s 4 + a 18 t 2 su + a 19 t 4 ]
s= r 1 + r 2 t= r 1 - r 2 u= r 12
| k | 22.20 |
| a 1 | 0.442223704 |
| a 2 | 1.09042306 |
| a 3 | 1.14476659 |
| a 4 | 1.05375129 |
| a 5 | -1.22002272 |
| a 6 | 0.784059184 |
| a 7 | -4.55026849 |
| a 8 | 1.90245817 |
| a 9 | 10.1746072 |
| a 10 | 1.29379692 |
| a 11 | -0.0520134549 |
| a 12 | 2.93948649 |
| a 13 | -2.20290557 |
| a 14 | 1.00221902 |
| a 15 | -8.00936092 |
| a 16 | 1.18983816 |
| a 17 | 0.526835524 |
| a 18 | -2.95943701 |
| a 19 | -0.388282536 |
| N | 284.142323 |
Energy= -93.9067919 a.u.