(1s 2 2s 2 2p 5 5p 1 ) 1 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2p | 4.008475 | .16667088 |
| 2 | 3p | 1.821004 | -1.57834502 |
| 3 | 4p | 1.494104 | 3.58717041 |
| 4 | 5p | 1.285307 | -2.79533623 |
| 5 | 2p | 8.595538 | .04541970 |
| 6 | 5p | 12.667750 | .00214612 |
| 7 | 4p | 30.567972 | -.00017180 |
| 8 | 4p | .892004 | .01962200 |
| ORB.ENERGY,a.u. | -.840350 | ||
| NORM | .999999 | < R > | 5.210376 | < R2 > | 30.522155 | < 1/R > | .274297 | < 1/R**2 > | .280649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.860511 | 1.22488543 |
| 2 | 3p | 5.734074 | -.30314041 |
| 3 | 2p | 11.312197 | .07567813 |
| 4 | 4p | 13.567745 | .01366346 |
| 5 | 4p | 1.050843 | -.00096318 |
| 6 | 5p | 1.972651 | .00103583 |
| 7 | 4p | 60.489534 | .00001981 |
| ORB.ENERGY,a.u. | -9.347800 | ||
| NORM | 1.000000 | < R > | .459162 | < R2 > | .260390 | < 1/R > | 2.818102 | < 1/R**2 > | 11.032980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.142643 | .37211492 |
| 2 | 2s | 6.143408 | -.83419769 |
| 3 | 3s | 5.430452 | -.30278961 |
| 4 | 4s | 18.530243 | .00412464 |
| 5 | 3s | 17.348543 | .00675651 |
| 6 | 5s | 36.568940 | .00041781 |
| 7 | 5s | 4.747056 | -.00292284 |
| 8 | 4s | 3.278766 | .00068676 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501355 | < R2 > | .297123 | < 1/R > | 2.911447 | < 1/R**2 > | 34.793440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204399 | .92330316 |
| 2 | 1s | 20.989766 | .07299239 |
| 3 | 2s | 8.539286 | .02102543 |
| 4 | 3s | 10.649321 | -.02131971 |
| 5 | 4s | 13.395606 | .01069031 |
| 6 | 5s | 35.532833 | .00079252 |
| 7 | 4s | 81.634516 | -.00004265 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103675 | < R2 > | .014443 | < 1/R > | 14.584887 | < 1/R**2 > | 429.121376 |
Total Energy= -327.15790063 a.u.
Kinetic Energy= 327.15627621 a.u.
Potential Energy= -654.31417684 a.u.
Virial Ratio = -2.00000497