(1s 2 2s 2 2p 4 4d 1 ) 4 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 1.226790 | 1.10277193 |
| 2 | 4d | 1.022822 | -1.65871909 |
| 3 | 3d | 4.047046 | .04970157 |
| 4 | 4d | 2.729719 | .05693551 |
| 5 | 5d | 6.591993 | -.00278971 |
| 6 | 4d | 25.783379 | .00003085 |
| ORB.ENERGY,a.u. | -.528850 | ||
| NORM | 1.000001 | < R > | 4.887718 | < R2 > | 27.527860 | < 1/R > | .278681 | < 1/R**2 > | .135941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.071707 | .07349481 |
| 2 | 4p | 10.379951 | .01757686 |
| 3 | 2p | 3.661194 | 1.26979612 |
| 4 | 3p | 4.349501 | -.34887308 |
| 5 | 5p | 28.669520 | -.00013420 |
| 6 | 5p | 2.341542 | .00448262 |
| 7 | 4p | 1.880786 | -.00408415 |
| ORB.ENERGY,a.u. | -4.829200 | ||
| NORM | 1.000000 | < R > | .604339 | < R2 > | .452673 | < 1/R > | 2.150203 | < 1/R**2 > | 6.456497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.823228 | .34991209 |
| 2 | 2s | 4.737115 | -.83304139 |
| 3 | 3s | 4.102619 | -.29478151 |
| 4 | 4s | 14.801310 | .00976283 |
| 5 | 3s | 16.119940 | .00522834 |
| 6 | 5s | 29.708773 | .00044405 |
| 7 | 5s | 3.892194 | -.00273654 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648972 | < R2 > | .499030 | < 1/R > | 2.238544 | < 1/R**2 > | 20.556850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248344 | .91828956 |
| 2 | 1s | 16.927349 | .07951439 |
| 3 | 2s | 6.356236 | .01947808 |
| 4 | 3s | 7.910863 | -.02012981 |
| 5 | 4s | 10.069174 | .00976096 |
| 6 | 5s | 28.450959 | .00098857 |
| 7 | 4s | 64.476843 | -.00005108 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130348 | < R2 > | .022846 | < 1/R > | 11.611105 | < 1/R**2 > | 272.315589 |
Total Energy= -192.50205974 a.u.
Kinetic Energy= 192.51184130 a.u.
Potential Energy= -385.01390104 a.u.
Virial Ratio = -1.99994919