(1s 2 2s 2 3d 1 ) 2 D Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 2.399029 | .95431339 |
| 2 | 3d | 4.095276 | .08199348 |
| 3 | 4d | 4.887417 | -.02645992 |
| 4 | 5d | 15.445496 | -.00046598 |
| 5 | 5d | 2.281941 | .00354093 |
| ORB.ENERGY,a.u. | -2.809600 | ||
| NORM | 1.000000 | < R > | 1.427699 | < R2 > | 2.345412 | < 1/R > | .824997 | < 1/R**2 > | .827790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.490467 | .35866767 |
| 2 | 2s | 4.140781 | -.78380140 |
| 3 | 3s | 5.629514 | -.27934427 |
| 4 | 5s | 10.708452 | -.02190522 |
| 5 | 4s | 21.665714 | .00320496 |
| 6 | 5s | 31.383058 | -.00054820 |
| ORB.ENERGY,a.u. | -8.738500 | ||
| NORM | 1.000000 | < R > | .639804 | < R2 > | .479215 | < 1/R > | 2.277614 | < 1/R**2 > | 20.933945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.349052 | .94528003 |
| 2 | 1s | 17.429354 | .05307033 |
| 3 | 2s | 10.609414 | .01987807 |
| 4 | 3s | 12.825119 | -.01569647 |
| 5 | 5s | 23.654598 | .00142053 |
| 6 | 4s | 53.184910 | -.00010810 |
| 7 | 5s | 6.621503 | .00003347 |
| ORB.ENERGY,a.u. | -49.036000 |
| NORM | 1.000000 | < R > | .141458 | < R2 > | .026817 | < 1/R > | 10.672467 | < 1/R**2 > | 229.678417 |
Total Energy= -137.60404168 a.u.
Kinetic Energy= 137.59794368 a.u.
Potential Energy= -275.20198536 a.u.
Virial Ratio = -2.00004432