(1s 2 2s 2 2p 1 4p 1 ) 3 S P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 6.711453 | .31092004 |
| 2 | 3p | 2.819766 | -.76426271 |
| 3 | 5p | 2.881213 | 1.31824228 |
| 4 | 4p | 4.100889 | -.44740896 |
| 5 | 5p | 8.339099 | .03655458 |
| 6 | 4p | 20.374934 | -.00271914 |
| 7 | 5p | 2.528740 | .27227328 |
| 8 | 5p | 42.706806 | -.00032162 |
| 9 | 4p | 62.743737 | -.00007933 |
| ORB.ENERGY,a.u. | -3.377600 | ||
| NORM | 1.000000 | < R > | 2.130124 | < R2 > | 5.133486 | < 1/R > | .665805 | < 1/R**2 > | 1.230659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.164848 | 1.08799434 |
| 2 | 3p | 7.609407 | -.10523792 |
| 3 | 2p | 14.234318 | .01587863 |
| 4 | 5p | 15.774445 | .00392954 |
| 5 | 4p | 30.684476 | -.00060215 |
| 6 | 5p | 5.763483 | .00551594 |
| 7 | 5p | 95.884941 | -.00001170 |
| 8 | 4p | 4.522029 | -.00345288 |
| ORB.ENERGY,a.u. | -16.999000 | ||
| NORM | 1.000000 | < R > | .396271 | < R2 > | .190112 | < 1/R > | 3.190251 | < 1/R**2 > | 13.773925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.936534 | .37303592 |
| 2 | 2s | 5.673027 | -.80829599 |
| 3 | 3s | 8.197874 | -.28216025 |
| 4 | 4s | 27.817378 | .00151236 |
| 5 | 5s | 15.838818 | -.01008849 |
| 6 | 5s | 6.213407 | .01480488 |
| 7 | 4s | 2.708440 | .00026027 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456966 | < R2 > | .244363 | < 1/R > | 3.208820 | < 1/R**2 > | 41.653153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.162735 | .93081963 |
| 2 | 1s | 21.860722 | .06893992 |
| 3 | 2s | 12.879030 | .01923671 |
| 4 | 3s | 15.971951 | -.01667052 |
| 5 | 4s | 73.897553 | -.00006806 |
| 6 | 5s | 34.185639 | .00077044 |
| 7 | 4s | 4.188878 | .00001409 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102985 | < R2 > | .014208 | < 1/R > | 14.646627 | < 1/R**2 > | 431.933336 |
Total Energy= -279.46845038 a.u.
Kinetic Energy= 279.47055648 a.u.
Potential Energy= -558.93900685 a.u.
Virial Ratio = -1.99999246