(1s 2 2s 2 2p 1 5d 1 ) 1 F Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.393088 | 3.57915798 |
| 2 | 4d | 1.402805 | -8.98217911 |
| 3 | 5d | 1.409466 | 6.05406387 |
| 4 | 3d | 4.419923 | .02667189 |
| 5 | 5d | 1.186311 | .03278321 |
| 6 | 5d | 6.522176 | -.00945392 |
| 7 | 4d | 11.967082 | .00021481 |
| 8 | 3d | 15.217346 | .00014957 |
| ORB.ENERGY,a.u. | -.985990 | ||
| NORM | 1.000004 | < R > | 4.886947 | < R2 > | 27.135350 | < 1/R > | .285503 | < 1/R**2 > | .168017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.681265 | 1.09433084 |
| 2 | 3p | 5.991528 | -.12020605 |
| 3 | 2p | 10.189038 | .02541426 |
| 4 | 5p | 10.972831 | .00616911 |
| 5 | 4p | 20.436532 | -.00196593 |
| 6 | 5p | 3.855069 | .00361279 |
| 7 | 3p | 25.674443 | -.00033893 |
| 8 | 4p | .873502 | -.00021235 |
| ORB.ENERGY,a.u. | -9.452700 | ||
| NORM | 1.000000 | < R > | .521698 | < R2 > | .330399 | < 1/R > | 2.431559 | < 1/R**2 > | 8.038560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.529200 | .34707609 |
| 2 | 2s | 4.275978 | -.79821306 |
| 3 | 3s | 6.409219 | -.27704657 |
| 4 | 4s | 22.888078 | .00144322 |
| 5 | 5s | 12.593622 | -.01464584 |
| 6 | 5s | 4.805968 | .02070913 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592179 | < R2 > | .410916 | < 1/R > | 2.461644 | < 1/R**2 > | 24.541781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194952 | .92230937 |
| 2 | 1s | 17.347652 | .07967138 |
| 3 | 2s | 9.608066 | .01719513 |
| 4 | 3s | 12.296355 | -.01627738 |
| 5 | 4s | 59.200001 | -.00007886 |
| 6 | 5s | 27.742473 | .00091142 |
| 7 | 4s | 3.335531 | .00002369 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129620 | < R2 > | .022533 | < 1/R > | 11.651838 | < 1/R**2 > | 273.786529 |
Total Energy= -172.73859240 a.u.
Kinetic Energy= 172.71867169 a.u.
Potential Energy= -345.45726409 a.u.
Virial Ratio = -2.00011534