(1s 2 2s 2 2p 1 3s 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 9.026746 | .16655976 |
| 2 | 2s | 3.174444 | -.86067065 |
| 3 | 3s | 2.336917 | 1.44839373 |
| 4 | 4s | 7.174820 | -.04676710 |
| 5 | 5s | 12.478064 | -.00836906 |
| 6 | 5s | 2.171352 | .00237872 |
| 7 | 4s | 52.882906 | -.00001675 |
| ORB.ENERGY,a.u. | -2.628000 | ||
| NORM | 1.000000 | < R > | 1.735901 | < R2 > | 3.414164 | < 1/R > | .816312 | < 1/R**2 > | 3.997131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.097357 | 1.09733701 |
| 2 | 3p | 4.813212 | -.13089599 |
| 3 | 2p | 9.706848 | .03021231 |
| 4 | 5p | 11.899408 | .00503433 |
| 5 | 4p | 22.327607 | -.00064820 |
| 6 | 5p | 66.065682 | -.00001551 |
| 7 | 5p | 3.959355 | .00992835 |
| 8 | 4p | 3.657823 | -.00030500 |
| ORB.ENERGY,a.u. | -6.989100 | ||
| NORM | 1.000000 | < R > | .587141 | < R2 > | .419680 | < 1/R > | 2.166864 | < 1/R**2 > | 6.404538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.987129 | .32118705 |
| 2 | 2s | 3.382084 | -.83503468 |
| 3 | 3s | 6.014983 | -.33024603 |
| 4 | 4s | 3.918231 | .14475648 |
| 5 | 5s | 12.511375 | -.01377381 |
| 6 | 5s | 2.744628 | -.00431766 |
| 7 | 3s | 40.075335 | -.00016399 |
| 8 | 5s | 87.605310 | .00002498 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .661031 | < R2 > | .513755 | < 1/R > | 2.201945 | < 1/R**2 > | 19.668881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.225015 | .90172953 |
| 2 | 1s | 15.195634 | .09776743 |
| 3 | 2s | 8.236331 | .01205665 |
| 4 | 3s | 10.470533 | -.00812341 |
| 5 | 4s | 61.938840 | -.00005628 |
| 6 | 5s | 25.589136 | .00165588 |
| 7 | 5s | 3.200077 | .00029048 |
| 8 | 3s | 22.542207 | .00041039 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141862 | < R2 > | .027003 | < 1/R > | 10.652773 | < 1/R**2 > | 229.017432 |
Total Energy= -145.06033879 a.u.
Kinetic Energy= 145.07126715 a.u.
Potential Energy= -290.13160594 a.u.
Virial Ratio = -1.99992467