(1s 2 2s 2 2p 3 5d 1 ) 5 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | 1.165485 | 1.02727977 |
| 2 | 4d | .859595 | -3.73321967 |
| 3 | 5d | .805605 | 3.45055235 |
| 4 | 3d | 2.893327 | .07474244 |
| 5 | 5d | 4.347350 | -.01888652 |
| 6 | 4d | 9.296788 | .00111870 |
| 7 | 5d | .671490 | -.05964592 |
| 8 | 4d | 19.330676 | .00010734 |
| 9 | 3d | 27.536002 | .00001323 |
| ORB.ENERGY,a.u. | -.333580 | ||
| NORM | .999996 | < R > | 8.215731 | < R2 > | 76.855329 | < 1/R > | .173407 | < 1/R**2 > | .066910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.762235 | 1.49867777 |
| 2 | 3p | 4.886891 | -.64499711 |
| 3 | 4p | 6.075636 | .13893693 |
| 4 | 5p | 18.502836 | -.00338733 |
| 5 | 4p | 2.485350 | .01680057 |
| 6 | 4p | 24.393676 | -.00153026 |
| 7 | 5p | 2.485752 | -.00762868 |
| 8 | 3p | 33.911736 | -.00013390 |
| ORB.ENERGY,a.u. | -4.896300 | ||
| NORM | 1.000000 | < R > | .644976 | < R2 > | .512104 | < 1/R > | 1.999698 | < 1/R**2 > | 5.542368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.023174 | .34958595 |
| 2 | 2s | 4.335880 | -.83422250 |
| 3 | 3s | 3.951312 | -.27960812 |
| 4 | 4s | 17.331562 | .00187502 |
| 5 | 3s | 11.227459 | .01769704 |
| 6 | 5s | 4.099377 | -.01770596 |
| 7 | 2s | 44.718809 | .00001714 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .703401 | < R2 > | .584853 | < 1/R > | 2.061071 | < 1/R**2 > | 17.366342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165668 | .90296208 |
| 2 | 1s | 15.521593 | .09696994 |
| 3 | 2s | 8.955910 | .01717165 |
| 4 | 3s | 12.699459 | -.01503406 |
| 5 | 4s | 20.250306 | .00391560 |
| 6 | 5s | 39.852289 | .00009140 |
| 7 | 5s | 7.524316 | .00088607 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142447 | < R2 > | .027280 | < 1/R > | 10.625614 | < 1/R**2 > | 228.125361 |
Total Energy= -154.18600782 a.u.
Kinetic Energy= 154.18889205 a.u.
Potential Energy= -308.37489987 a.u.
Virial Ratio = -1.99998129