(1s 2 2s 2 2p 4 5s 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 12.475510 | .06180707 |
| 2 | 2s | 4.124035 | -.34723433 |
| 3 | 3s | 2.292725 | 1.65090766 |
| 4 | 4s | 1.678802 | -4.54241365 |
| 5 | 5s | 1.579578 | 3.81365321 |
| 6 | 5s | 12.791946 | -.01270516 |
| 7 | 4s | 16.335737 | -.00722207 |
| 8 | 5s | 46.398332 | -.00017458 |
| 9 | 3s | .957144 | .02381724 |
| 10 | 4s | 70.107118 | -.00003881 |
| ORB.ENERGY,a.u. | -1.200700 | ||
| NORM | 1.000000 | < R > | 4.390720 | < R2 > | 21.573724 | < 1/R > | .326708 | < 1/R**2 > | 1.078295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.128347 | 1.17873892 |
| 2 | 3p | 5.956023 | -.24907657 |
| 3 | 2p | 11.521894 | .06774350 |
| 4 | 4p | 13.459232 | .01252061 |
| 5 | 5p | 36.067674 | -.00014154 |
| 6 | 5p | 3.779099 | .00027312 |
| 7 | 4p | 4.362335 | -.00180430 |
| ORB.ENERGY,a.u. | -10.991000 | ||
| NORM | 1.000000 | < R > | .440941 | < R2 > | .238582 | < 1/R > | 2.913008 | < 1/R**2 > | 11.694764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.114706 | .33980001 |
| 2 | 2s | 5.283184 | -.81758882 |
| 3 | 3s | 8.327036 | -.21297611 |
| 4 | 4s | 6.726559 | -.03956433 |
| 5 | 5s | 17.304032 | -.00959758 |
| 6 | 5s | 1.356885 | -.04502942 |
| 7 | 4s | 1.156411 | .07172889 |
| 8 | 3s | 56.431573 | -.00010978 |
| 9 | 4s | 94.554357 | .00002635 |
| 10 | 3s | .940405 | -.02814958 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489544 | < R2 > | .282477 | < 1/R > | 2.983929 | < 1/R**2 > | 36.418745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211140 | .92274338 |
| 2 | 1s | 20.874555 | .07397082 |
| 3 | 2s | 8.437083 | .02079744 |
| 4 | 3s | 10.415959 | -.02120574 |
| 5 | 4s | 13.132616 | .00962905 |
| 6 | 5s | 35.727790 | .00081845 |
| 7 | 3s | 56.456883 | -.00008566 |
| 8 | 4s | .794049 | -.00121459 |
| 9 | 5s | .978521 | .00132922 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103536 | < R2 > | .014396 | < 1/R > | 14.597080 | < 1/R**2 > | 429.672379 |
Total Energy= -317.88325421 a.u.
Kinetic Energy= 317.88690777 a.u.
Potential Energy= -635.77016199 a.u.
Virial Ratio = -1.99998851