(1s 2 2s 2 2p 1 4d 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 1.768763 | 1.24056248 |
| 2 | 4d | 1.499560 | -1.76336513 |
| 3 | 3d | 3.773771 | .04110231 |
| 4 | 5d | 33.267676 | .00002022 |
| 5 | 4d | 7.468235 | .00811128 |
| 6 | 5d | 17.180117 | .00034530 |
| 7 | 3d | 14.790916 | .00035913 |
| 8 | 5d | 1.263533 | .00718947 |
| ORB.ENERGY,a.u. | -1.156100 | ||
| NORM | 1.000000 | < R > | 3.376837 | < R2 > | 13.084938 | < 1/R > | .395759 | < 1/R**2 > | .261565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.098736 | 1.11008609 |
| 2 | 3p | 4.961609 | -.13545891 |
| 3 | 2p | 9.686769 | .02969740 |
| 4 | 5p | 11.925765 | .00614515 |
| 5 | 4p | 23.636297 | -.00050358 |
| 6 | 5p | 74.434860 | -.00000984 |
| 7 | 5p | 3.757815 | .00958253 |
| 8 | 3p | 2.779317 | -.01179729 |
| ORB.ENERGY,a.u. | -7.246600 | ||
| NORM | 1.000000 | < R > | .584793 | < R2 > | .415798 | < 1/R > | 2.173852 | < 1/R**2 > | 6.442922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.721572 | .33544268 |
| 2 | 2s | 3.806363 | -.79502600 |
| 3 | 3s | 5.841221 | -.27432261 |
| 4 | 4s | 20.800755 | .00165884 |
| 5 | 5s | 11.453754 | -.01545980 |
| 6 | 5s | 4.280401 | .02158410 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658021 | < R2 > | .507867 | < 1/R > | 2.209406 | < 1/R**2 > | 19.779497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216617 | .92216374 |
| 2 | 1s | 16.040146 | .08037169 |
| 3 | 2s | 9.071033 | .01629568 |
| 4 | 3s | 11.630637 | -.01588208 |
| 5 | 4s | 57.734517 | -.00006588 |
| 6 | 5s | 25.330059 | .00122265 |
| 7 | 5s | 6.724019 | .00013178 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141851 | < R2 > | .026999 | < 1/R > | 10.653508 | < 1/R**2 > | 229.046322 |
Total Energy= -143.61073928 a.u.
Kinetic Energy= 143.60236096 a.u.
Potential Energy= -287.21310024 a.u.
Virial Ratio = -2.00005834