(1s 1 4p 1 ) 3 P S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 7.340368 | .44536732 |
| 2 | 3p | 3.614649 | -1.01410999 |
| 3 | 5p | 4.013760 | 1.82211181 |
| 4 | 4p | 5.591791 | -.57824441 |
| 5 | 5p | 11.034364 | .01278125 |
| 6 | 4p | 24.181100 | -.00128791 |
| 7 | 5p | 3.340540 | .05946874 |
| 8 | 5p | 24.899257 | -.00008195 |
| 9 | 3p | 34.948583 | -.00012199 |
| ORB.ENERGY,a.u. | -7.517000 | ||
| NORM | 1.000001 | < R > | 1.524573 | < R2 > | 2.636463 | < 1/R > | .944225 | < 1/R**2 > | 2.400591 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.764919 | .88915014 |
| 2 | 1s | 18.432908 | .10524226 |
| 3 | 2s | 17.315343 | .00995641 |
| 4 | 3s | 15.175720 | -.00544561 |
| 5 | 4s | 17.928300 | .00113915 |
| 6 | 5s | 17.787350 | .00067645 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .093780 | < R2 > | .011727 | < 1/R > | 15.996095 | < 1/R**2 > | 511.794377 |
Total Energy= -135.05717455 a.u.
Kinetic Energy= 135.07041046 a.u.
Potential Energy= -270.12758501 a.u.
Virial Ratio = -1.99990201