(1s 2 2s 2 2p 4 3p 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 2p | 3.903395 | .29287338 |
| 2 | 3p | 1.606144 | -.81400678 |
| 3 | 4p | 2.288898 | -.24099025 |
| 4 | 2p | 7.429125 | .06128027 |
| 5 | 5p | 10.518511 | .00624632 |
| 6 | 5p | 27.444199 | -.00046209 |
| 7 | 4p | 41.250099 | -.00008845 |
| 8 | 5p | 1.490784 | .00783218 |
| ORB.ENERGY,a.u. | -1.280200 | ||
| NORM | 1.000000 | < R > | 2.156851 | < R2 > | 5.333991 | < 1/R > | .622876 | < 1/R**2 > | .861708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.634957 | 1.27509435 |
| 2 | 2p | 9.024797 | .07550738 |
| 3 | 3p | 4.298542 | -.35890898 |
| 4 | 4p | 10.328319 | .01777523 |
| 5 | 5p | 29.095456 | -.00013766 |
| 6 | 5p | 1.221137 | .00015783 |
| 7 | 4p | 2.166162 | .00646655 |
| ORB.ENERGY,a.u. | -4.570000 | ||
| NORM | 1.000000 | < R > | .607366 | < R2 > | .458499 | < 1/R > | 2.143388 | < 1/R**2 > | 6.423205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.827573 | .34886367 |
| 2 | 2s | 4.730612 | -.83252889 |
| 3 | 3s | 4.087604 | -.29506388 |
| 4 | 4s | 14.733685 | .01046021 |
| 5 | 3s | 16.677433 | .00473210 |
| 6 | 5s | 28.968795 | .00052325 |
| 7 | 5s | 3.383559 | -.00386814 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .650622 | < R2 > | .501916 | < 1/R > | 2.233251 | < 1/R**2 > | 20.468024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247206 | .91807031 |
| 2 | 1s | 16.943412 | .07953636 |
| 3 | 2s | 6.734874 | .01837355 |
| 4 | 3s | 8.402191 | -.01834009 |
| 5 | 4s | 10.495969 | .00942915 |
| 6 | 5s | 28.601157 | .00100671 |
| 7 | 4s | 64.700278 | -.00004764 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130371 | < R2 > | .022856 | < 1/R > | 11.609760 | < 1/R**2 > | 272.266517 |
Total Energy= -193.22074092 a.u.
Kinetic Energy= 193.26282051 a.u.
Potential Energy= -386.48356143 a.u.
Virial Ratio = -1.99978227