(1s 2 2s 2 2p 4 4p 1 ) 4 S P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 7.202232 | .18098202 |
| 2 | 3p | 1.532124 | 2.15498969 |
| 3 | 4p | 2.866089 | -1.58898258 |
| 4 | 5p | 5.187432 | -.16811624 |
| 5 | 3p | 14.043741 | -.00287746 |
| 6 | 5p | 1.420218 | -.21716312 |
| 7 | 4p | 1.000478 | .07989732 |
| 8 | 3p | .594505 | -.02298902 |
| 9 | 4p | 30.913119 | -.00006354 |
| 10 | 2p | .377091 | .00770373 |
| ORB.ENERGY,a.u. | -1.790000 | ||
| NORM | .999999 | < R > | 2.808645 | < R2 > | 8.918819 | < 1/R > | .499346 | < 1/R**2 > | .721515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.126295 | 1.18437583 |
| 2 | 3p | 5.958539 | -.25335701 |
| 3 | 2p | 11.449240 | .06814884 |
| 4 | 4p | 13.603225 | .01109173 |
| 5 | 5p | 1.977792 | .00085762 |
| 6 | 5p | 20.704101 | -.00040173 |
| 7 | 4p | 27.813381 | -.00040549 |
| 8 | 4p | 4.524045 | -.00211612 |
| ORB.ENERGY,a.u. | -10.793000 | ||
| NORM | 1.000000 | < R > | .440995 | < R2 > | .238664 | < 1/R > | 2.912776 | < 1/R**2 > | 11.693234 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.057848 | .38516416 |
| 2 | 2s | 6.253001 | -.84575483 |
| 3 | 3s | 5.699769 | -.29779509 |
| 4 | 4s | 16.665806 | .00739370 |
| 5 | 3s | 18.672263 | .00748527 |
| 6 | 5s | 31.821985 | .00054731 |
| 7 | 5s | 4.869177 | -.00506988 |
| 8 | 4s | 3.426610 | .00190330 |
| 9 | 2s | 66.462664 | .00001480 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489873 | < R2 > | .282833 | < 1/R > | 2.981794 | < 1/R**2 > | 36.370015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210062 | .92302927 |
| 2 | 1s | 20.950109 | .07344290 |
| 3 | 2s | 8.805726 | .02035940 |
| 4 | 3s | 10.759604 | -.02034911 |
| 5 | 4s | 13.278411 | .00950912 |
| 6 | 5s | 36.013683 | .00080920 |
| 7 | 4s | 82.080621 | -.00003748 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014398 | < 1/R > | 14.596207 | < 1/R**2 > | 429.632884 |
Total Energy= -318.49046051 a.u.
Kinetic Energy= 318.47687824 a.u.
Potential Energy= -636.96733875 a.u.
Virial Ratio = -2.00004265