(1s 2 2s 2 2p 6 3s 1 ) 2 S P 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 13.843643 | .10170143 |
| 2 | 2s | 4.340898 | -.45737757 |
| 3 | 3s | 2.365275 | 1.10745177 |
| 4 | 4s | 2.173474 | .04214937 |
| 5 | 4s | 11.008257 | -.04555563 |
| 6 | 5s | 19.682757 | -.00439114 |
| 7 | 2s | 19.482320 | .00444628 |
| 8 | 1s | .882575 | .00220376 |
| ORB.ENERGY,a.u. | -2.373000 | ||
| NORM | 1.000000 | < R > | 1.617363 | < R2 > | 2.965281 | < 1/R > | .837414 | < 1/R**2 > | 4.090922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.162593 | .45282018 |
| 2 | 3p | 6.301962 | .49778200 |
| 3 | 4p | 5.036442 | .15903377 |
| 4 | 5p | 3.324049 | .01294077 |
| 5 | 2p | 17.818399 | .00421700 |
| 6 | 5p | 35.732886 | -.00016488 |
| 7 | 3p | 2.087329 | -.01836329 |
| 8 | 3p | 89.094739 | .00000245 |
| 9 | 5p | 2.354903 | .00537797 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .480425 | < R2 > | .287531 | < 1/R > | 2.718188 | < 1/R**2 > | 10.360666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.226525 | .35927373 |
| 2 | 2s | 5.983320 | -.84349866 |
| 3 | 3s | 5.105852 | -.28771903 |
| 4 | 4s | 19.922131 | .00366851 |
| 5 | 3s | 17.756110 | .00530029 |
| 6 | 4s | 3.244771 | -.00270996 |
| 7 | 5s | 38.706465 | .00026113 |
| 8 | 5s | 1.841703 | -.00008437 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .514039 | < R2 > | .313662 | < 1/R > | 2.839951 | < 1/R**2 > | 33.231837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.569503 | 1.01444221 |
| 2 | 2s | 20.410137 | -.02230654 |
| 3 | 3s | 10.631474 | .01917713 |
| 4 | 4s | 58.217142 | -.00051286 |
| 5 | 4s | 10.108847 | .00281038 |
| 6 | 5s | 73.674971 | .00018308 |
| 7 | 5s | 12.503583 | -.00810580 |
| 8 | 2s | 2.321630 | -.00012916 |
| 9 | 2s | 2.983461 | .00023601 |
| 10 | 3s | 118.641485 | -.00001155 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575267 | < 1/R**2 > | 428.685831 |
Total Energy= -336.73731525 a.u.
Kinetic Energy= 336.73730028 a.u.
Potential Energy= -673.47461553 a.u.
Virial Ratio = -2.00000004