(1s 2 2s 2 2p 1 5p 1 ) 3 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 3p | .684546 | -1.10488163 |
| 2 | 4p | .488745 | 3.34076387 |
| 3 | 5p | .442635 | -3.00238838 |
| 4 | 2p | 4.249829 | .01506914 |
| 5 | 5p | 2.225818 | .02952502 |
| 6 | 3p | 6.998080 | -.00181146 |
| 7 | 2p | 2.101637 | .11509861 |
| ORB.ENERGY,a.u. | -.096066 | ||
| NORM | 1.000002 | < R > | 15.165629 | < R2 > | 258.537729 | < 1/R > | .092402 | < 1/R**2 > | .030184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.080274 | .82306360 |
| 2 | 2p | 3.517146 | .17420715 |
| 3 | 2p | 7.712924 | .01045253 |
| 4 | 3p | 3.141632 | .00651010 |
| 5 | 4p | 1.970941 | .02308169 |
| 6 | 4p | 12.427608 | -.00067359 |
| 7 | 5p | .991200 | -.00023295 |
| ORB.ENERGY,a.u. | -1.608600 | ||
| NORM | 1.000000 | < R > | 1.119745 | < R2 > | 1.542169 | < 1/R > | 1.152011 | < 1/R**2 > | 1.844391 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427536 | .26754008 |
| 2 | 2s | 2.000903 | -.76126976 |
| 3 | 3s | 3.457228 | -.27611761 |
| 4 | 4s | 13.223941 | .00221907 |
| 5 | 5s | 7.046737 | -.02376763 |
| 6 | 5s | 2.279562 | .03095774 |
| 7 | 4s | 29.454937 | .00003066 |
| 8 | 4s | 1.927733 | -.00849796 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179739 | < R2 > | 1.645397 | < 1/R > | 1.210509 | < 1/R**2 > | 5.921370 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.273473 | .00615297 |
| 2 | 1s | 6.254453 | .70933956 |
| 3 | 1s | 9.330449 | .22655151 |
| 4 | 2s | 7.137055 | .08427579 |
| 5 | 3s | 7.707186 | -.01452434 |
| 6 | 4s | 12.805791 | .00523226 |
| 7 | 5s | 22.169491 | .00018079 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227676 | < R2 > | .069775 | < 1/R > | 6.663773 | < 1/R**2 > | 90.053454 |
Total Energy= -52.91168508 a.u.
Kinetic Energy= 52.91185691 a.u.
Potential Energy= -105.82354199 a.u.
Virial Ratio = -1.99999675