(1s 2 2s 2 2p 4 5d 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | .774143 | 1.46214648 |
| 2 | 4d | .619558 | -5.11796311 |
| 3 | 5d | .604268 | 4.37624431 |
| 4 | 3d | 1.959598 | .05408414 |
| 5 | 5d | 2.897338 | -.01511665 |
| 6 | 4d | 5.446632 | .00596196 |
| 7 | 5d | 9.409960 | .00029553 |
| 8 | 3d | 7.465193 | .00141372 |
| ORB.ENERGY,a.u. | -.183730 | ||
| NORM | .999997 | < R > | 11.200867 | < R2 > | 142.854728 | < 1/R > | .126837 | < 1/R**2 > | .035354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.199388 | 1.36261690 |
| 2 | 3p | 3.878335 | -.42938318 |
| 3 | 2p | 8.725123 | .06020791 |
| 4 | 4p | 9.935498 | .01942670 |
| 5 | 5p | 24.963155 | .00029525 |
| 6 | 5p | 2.330025 | .02060127 |
| 7 | 4p | 40.489735 | .00007735 |
| 8 | 4p | 2.038703 | -.02207084 |
| ORB.ENERGY,a.u. | -3.418200 | ||
| NORM | 1.000000 | < R > | .689351 | < R2 > | .591946 | < 1/R > | 1.896100 | < 1/R**2 > | 5.054063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.065151 | .33544175 |
| 2 | 2s | 4.236345 | -.83034328 |
| 3 | 3s | 3.562735 | -.29511061 |
| 4 | 4s | 19.536909 | .00549491 |
| 5 | 3s | 20.529197 | .00145602 |
| 6 | 5s | 16.722331 | .00643988 |
| 7 | 5s | 13.678961 | .00349797 |
| 8 | 4s | 1.853287 | -.00024079 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727594 | < R2 > | .629036 | < 1/R > | 1.992324 | < 1/R**2 > | 16.297725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123601 |
| 2 | 1s | 15.432358 | .08737159 |
| 3 | 2s | 5.654280 | .01837298 |
| 4 | 3s | 7.092984 | -.01930565 |
| 5 | 4s | 9.045868 | .00951181 |
| 6 | 5s | 26.198056 | .00114805 |
| 7 | 4s | 61.682025 | -.00004749 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617080 | < 1/R**2 > | 227.846715 |
Total Energy= -157.60899591 a.u.
Kinetic Energy= 157.60746894 a.u.
Potential Energy= -315.21646485 a.u.
Virial Ratio = -2.00000969