(1s 2 2s 2 2p 5 5s 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 12.885610 | .04941734 |
| 2 | 2s | 3.985931 | -.26825746 |
| 3 | 3s | 2.104119 | 1.38574926 |
| 4 | 4s | 1.549642 | -3.42487153 |
| 5 | 5s | 1.367461 | 2.89628018 |
| 6 | 5s | 12.405472 | -.01259529 |
| 7 | 4s | 15.994329 | -.00928193 |
| 8 | 5s | 40.473013 | -.00032799 |
| 9 | 4s | 59.920795 | -.00008284 |
| ORB.ENERGY,a.u. | -.914010 | ||
| NORM | .999998 | < R > | 4.943770 | < R2 > | 27.355413 | < 1/R > | .285484 | < 1/R**2 > | .777899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.859875 | 1.22479394 |
| 2 | 3p | 5.734354 | -.30317176 |
| 3 | 2p | 11.312542 | .07572678 |
| 4 | 5p | 79.643551 | .00001398 |
| 5 | 4p | 13.554875 | .01374518 |
| 6 | 5p | 3.322388 | .00031045 |
| ORB.ENERGY,a.u. | -9.355500 | ||
| NORM | 1.000000 | < R > | .459237 | < R2 > | .260474 | < 1/R > | 2.817746 | < 1/R**2 > | 11.030620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.326336 | .32389933 |
| 2 | 2s | 5.155286 | -.77397804 |
| 3 | 3s | 8.391859 | -.22842436 |
| 4 | 4s | 6.291179 | -.06639172 |
| 5 | 5s | 17.730658 | -.00898214 |
| 6 | 5s | 1.147512 | .02762914 |
| 7 | 4s | .965008 | -.02856245 |
| 8 | 3s | 47.466940 | -.00006052 |
| 9 | 2s | 17.310099 | .00086887 |
| 10 | 3s | .624797 | .00252147 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501000 | < R2 > | .296827 | < 1/R > | 2.913692 | < 1/R**2 > | 34.843509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.203833 | .92359771 |
| 2 | 1s | 21.054697 | .07252591 |
| 3 | 2s | 9.175221 | .01985426 |
| 4 | 3s | 11.549025 | -.01929048 |
| 5 | 4s | 14.099793 | .01004646 |
| 6 | 5s | 36.065058 | .00083330 |
| 7 | 4s | 83.210760 | -.00003511 |
| 8 | 5s | .912102 | -.00175631 |
| 9 | 4s | .746728 | .00161103 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103674 | < R2 > | .014444 | < 1/R > | 14.584982 | < 1/R**2 > | 429.125601 |
Total Energy= -327.23327282 a.u.
Kinetic Energy= 327.22903932 a.u.
Potential Energy= -654.46231214 a.u.
Virial Ratio = -2.00001294