(1s1s) 1 S Z=12 Mg 10+
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 | 10.4524 | 1s | 12.9392 | 0.7135118209675074E+00 |
| 2 | 1s | 17.8501 | 4s | 87.2557 | 0.4780529200482300E-03 |
| 3 | 1s | 31.2194 | 2s | 35.6206 | -0.2961074057015156E-02 |
| 4 | 2s | 89.9888 | 4s | 87.8023 | 0.1220105213854438E-02 |
| 5 | 1s | 17.1351 | 3s | 32.1846 | -0.4823339909740350E-02 |
| 6 | 1s | 20.3782 | 2s | 50.5189 | 0.3795882887547140E-02 |
| 7 | 2s | 52.0612 | 3s | 68.6913 | -0.1034592140402886E-02 |
| 8 | 3s | 90.3573 | 4s | 83.1046 | -0.1919346798402595E-02 |
| 9 | 4s | 103.0682 | 5s | 118.1033 | -0.5636743385643309E-03 |
| 10 | 2p | 31.1072 | 2p | 31.1072 | 0.1245078127588301E-01 |
| 11 | 2p | 63.2794 | 3p | 67.1562 | 0.2176211053950898E-02 |
| 12 | 4p | 94.7003 | 4p | 94.7003 | 0.8704844215803590E-03 |
| 13 | 2p | 36.8730 | 4p | 84.0546 | -0.1576861124338192E-02 |
| 14 | 3p | 164.8522 | 4p | 160.5737 | 0.2140535462902522E-03 |
| 15 | 3d | 81.8852 | 3d | 81.8852 | -0.2076319399015447E-02 |
| 16 | 4d | 125.5823 | 4d | 125.5823 | -0.9632409583061350E-03 |
| 17 | 5d | 173.2181 | 5d | 173.2181 | -0.3567559104837537E-03 |
| 18 | 3d | 41.2181 | 5d | 114.2482 | -0.3210803194353783E-03 |
| 19 | 4f | 136.2821 | 4f | 136.2821 | 0.8134034759029584E-03 |
| 20 | 5f | 178.1876 | 5f | 178.1876 | 0.3995666197418041E-03 |
| 21 | 5g | 198.8385 | 5g | 198.8385 | -0.3781612651127789E-03 |
Energy= -136.65603514 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 | 11.44810 | 0.97261 |
| 2 | 1s | 20.44990 | 0.03181 |
| 3 | 1s | 30.59270 | -0.00113 |
Energy= -136.61109 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 | 27.00 |
| a 1 | 0.443411579 |
| a 2 | 1.32518519 |
| a 3 | 1.54137769 |
| a 4 | 1.70039090 |
| a 5 | -1.52673508 |
| a 6 | 1.03688038 |
| a 7 | -6.72746288 |
| a 8 | 2.86604464 |
| a 9 | 18.5924205 |
| a 10 | 1.93811653 |
| a 11 | 0.124981910 |
| a 12 | 7.84263832 |
| a 13 | -4.06329258 |
| a 14 | 2.28140304 |
| a 15 | -17.5280675 |
| a 16 | 2.56549714 |
| a 17 | 1.24769787 |
| a 18 | -5.97143232 |
| a 19 | -0.738207796 |
| N | 500.588221 |
Energy= -136.6569328 a.u.