(1s 2 2s 2 2p 5 4s 1 ) 3 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 13.730675 | .08151334 |
| 2 | 2s | 2.885990 | -1.15416874 |
| 3 | 3s | 2.842980 | 2.48334661 |
| 4 | 4s | 2.022910 | -1.70407344 |
| 5 | 5s | 4.113258 | -.24319208 |
| 6 | 4s | 12.395181 | -.03198173 |
| 7 | 5s | 22.546548 | -.00403477 |
| 8 | 4s | 27.135316 | -.00151975 |
| 9 | 5s | 1.369548 | .00210635 |
| 10 | 3s | 28.145289 | -.00089502 |
| ORB.ENERGY,a.u. | -2.032000 | ||
| NORM | 1.000000 | < R > | 2.604817 | < R2 > | 7.621839 | < 1/R > | .541932 | < 1/R**2 > | 2.353190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.364396 | 1.20425022 |
| 2 | 3p | 6.324545 | -.27707980 |
| 3 | 2p | 12.197148 | .07066791 |
| 4 | 4p | 14.657919 | .01204039 |
| 5 | 5p | 4.171667 | .00091396 |
| 6 | 4p | 2.603450 | -.00044002 |
| 7 | 4p | 66.326648 | .00001838 |
| ORB.ENERGY,a.u. | -11.555000 | ||
| NORM | 1.000000 | < R > | .420312 | < R2 > | .217622 | < 1/R > | 3.069214 | < 1/R**2 > | 13.040945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.151600 | .33184872 |
| 2 | 2s | 5.545812 | -.78091154 |
| 3 | 3s | 9.155433 | -.22947424 |
| 4 | 4s | 7.211307 | -.06076495 |
| 5 | 5s | 19.332394 | -.00732417 |
| 6 | 5s | 2.366917 | .00268808 |
| 7 | 4s | 3.191564 | -.00246816 |
| 8 | 3s | 44.378770 | -.00007882 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462779 | < R2 > | .252832 | < 1/R > | 3.159027 | < 1/R**2 > | 40.923613 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.179076 | .92234478 |
| 2 | 1s | 22.186933 | .07402239 |
| 3 | 2s | 8.867870 | .02173920 |
| 4 | 3s | 11.045775 | -.02276931 |
| 5 | 4s | 14.035301 | .01092136 |
| 6 | 5s | 38.214846 | .00077957 |
| 7 | 4s | 89.493286 | -.00003432 |
| 8 | 5s | 1.585508 | -.00008800 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097012 | < R2 > | .012642 | < 1/R > | 15.580439 | < 1/R**2 > | 489.486217 |
Total Energy= -379.30838426 a.u.
Kinetic Energy= 379.31242048 a.u.
Potential Energy= -758.62080474 a.u.
Virial Ratio = -1.99998936