(1s1s) 1 S Z=13 Al 11+
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 | 11.3983 | 1s | 13.9919 | 0.7130921130288020E+00 |
| 2 | 1s | 17.2985 | 4s | 96.8137 | 0.4635098734687213E-03 |
| 3 | 1s | 32.6857 | 2s | 39.5459 | -0.2952201347939240E-02 |
| 4 | 2s | 97.1539 | 4s | 95.8071 | 0.1176601986497523E-02 |
| 5 | 1s | 18.5668 | 3s | 35.0920 | -0.4528134917732893E-02 |
| 6 | 1s | 21.8649 | 2s | 54.4191 | 0.3815042804704091E-02 |
| 7 | 2s | 56.2543 | 3s | 76.6416 | -0.9198888258071545E-03 |
| 8 | 3s | 97.9406 | 4s | 90.6218 | -0.1818384888223445E-02 |
| 9 | 4s | 111.8965 | 5s | 128.4494 | -0.5276881636413135E-03 |
| 10 | 2p | 33.7567 | 2p | 33.7567 | 0.1150930670428487E-01 |
| 11 | 2p | 68.5454 | 3p | 73.0664 | 0.2018050679871510E-02 |
| 12 | 4p | 102.8107 | 4p | 102.8107 | 0.7986631665922582E-03 |
| 13 | 2p | 40.1006 | 4p | 91.2291 | -0.1468969752839332E-02 |
| 14 | 3p | 178.8710 | 4p | 174.2558 | 0.1996657916480646E-03 |
| 15 | 3d | 88.8593 | 3d | 88.8593 | -0.1918217784047478E-02 |
| 16 | 4d | 136.2639 | 4d | 136.2639 | -0.8842342201557145E-03 |
| 17 | 5d | 187.9519 | 5d | 187.9519 | -0.3280223719932490E-03 |
| 18 | 3d | 44.6914 | 5d | 124.0238 | -0.2994986874720969E-03 |
| 19 | 4f | 147.8503 | 4f | 147.8503 | 0.7487467186802421E-03 |
| 20 | 5f | 193.3026 | 5f | 193.3026 | 0.3708078987749770E-03 |
| 21 | 5g | 215.7877 | 5g | 215.7877 | -0.3494151353841130E-03 |
Energy= -161.03108233 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 | 12.44850 | 0.97483 |
| 2 | 1s | 22.27390 | 0.02946 |
| 3 | 1s | 32.42660 | -0.00125 |
Energy= -160.98609 a.u.