(1s 2 2s 2 2p 2 5d 1 ) 2 F Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 1.476793 | 1.73762244 |
| 2 | 4d | 1.305567 | -4.50645362 |
| 3 | 5d | 1.193010 | 3.43655247 |
| 4 | 3d | 3.946244 | .04204669 |
| 5 | 5d | 6.077869 | -.01200435 |
| 6 | 4d | 16.582748 | .00021573 |
| 7 | 5d | .834243 | -.00597651 |
| 8 | 5d | 45.541739 | .00001472 |
| 9 | 3d | 49.737837 | .00000283 |
| ORB.ENERGY,a.u. | -.732790 | ||
| NORM | 1.000002 | < R > | 5.631240 | < R2 > | 36.039318 | < 1/R > | .248739 | < 1/R**2 > | .129738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.338420 | 1.21320976 |
| 2 | 3p | 5.246051 | -.23450148 |
| 3 | 2p | 11.584463 | .02083978 |
| 4 | 4p | 12.582061 | .00492124 |
| 5 | 5p | 25.582159 | -.00034644 |
| 6 | 5p | 3.189803 | .01261874 |
| 7 | 4p | 2.848477 | -.01448431 |
| ORB.ENERGY,a.u. | -7.988300 | ||
| NORM | 1.000000 | < R > | .544641 | < R2 > | .361848 | < 1/R > | 2.342786 | < 1/R**2 > | 7.513623 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.779908 | .37554035 |
| 2 | 2s | 4.906047 | -.82949694 |
| 3 | 3s | 5.089919 | -.27009820 |
| 4 | 4s | 19.185813 | .00271056 |
| 5 | 3s | 11.975603 | .01561700 |
| 6 | 5s | 5.043197 | -.03948820 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610167 | < R2 > | .437593 | < 1/R > | 2.385026 | < 1/R**2 > | 23.139010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173731 |
| 2 | 1s | 17.176269 | .08816996 |
| 3 | 2s | 10.300615 | .01904831 |
| 4 | 3s | 13.083103 | -.01555887 |
| 5 | 5s | 28.481083 | .00121209 |
| 6 | 4s | 69.232741 | -.00004003 |
| 7 | 5s | 8.936345 | .00063686 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129917 | < R2 > | .022659 | < 1/R > | 11.634994 | < 1/R**2 > | 273.175243 |
Total Energy= -180.74268840 a.u.
Kinetic Energy= 180.73251592 a.u.
Potential Energy= -361.47520433 a.u.
Virial Ratio = -2.00005628