(1s 2 2s 2 2p 1 3d 1 ) 3 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 2.067055 | 1.12694993 |
| 2 | 3d | 5.428893 | .02081262 |
| 3 | 4d | 2.329998 | -.11921230 |
| 4 | 5d | 3.489060 | -.02073469 |
| 5 | 4d | 10.670083 | -.00084668 |
| ORB.ENERGY,a.u. | -2.081100 | ||
| NORM | 1.000000 | < R > | 1.651809 | < R2 > | 3.142438 | < 1/R > | .714318 | < 1/R**2 > | .622676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.087774 | 1.11529598 |
| 2 | 3p | 4.922307 | -.14551516 |
| 3 | 2p | 9.532027 | .03098219 |
| 4 | 5p | 11.446828 | .00612057 |
| 5 | 4p | 22.676106 | -.00075490 |
| 6 | 5p | 70.866413 | -.00001619 |
| 7 | 5p | 2.397673 | -.00064909 |
| ORB.ENERGY,a.u. | -6.931800 | ||
| NORM | 1.000000 | < R > | .584965 | < R2 > | .415904 | < 1/R > | 2.172812 | < 1/R**2 > | 6.436399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.732931 | .33395888 |
| 2 | 2s | 3.790798 | -.79420914 |
| 3 | 3s | 5.857674 | -.27344011 |
| 4 | 4s | 20.904438 | .00157313 |
| 5 | 5s | 11.469831 | -.01566639 |
| 6 | 5s | 4.397771 | .01921215 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660069 | < R2 > | .511527 | < 1/R > | 2.203267 | < 1/R**2 > | 19.680558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216998 | .92215243 |
| 2 | 1s | 16.037919 | .08037185 |
| 3 | 2s | 9.063839 | .01628511 |
| 4 | 3s | 11.626218 | -.01585904 |
| 5 | 4s | 57.786999 | -.00006570 |
| 6 | 5s | 25.323875 | .00122540 |
| 7 | 5s | 6.683216 | .00013690 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141850 | < R2 > | .026998 | < 1/R > | 10.653575 | < 1/R**2 > | 229.048928 |
Total Energy= -144.53207103 a.u.
Kinetic Energy= 144.52745900 a.u.
Potential Energy= -289.05953003 a.u.
Virial Ratio = -2.00003191