(1s 2 2s 1 3d 1 ) 1 D Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 2.996062 | .99773333 |
| 2 | 3d | 7.116704 | .01270388 |
| 3 | 4d | 6.754390 | -.00599557 |
| 4 | 5d | 20.786852 | -.00044284 |
| 5 | 4d | 35.608493 | -.00003897 |
| ORB.ENERGY,a.u. | -4.493300 | ||
| NORM | 1.000000 | < R > | 1.164935 | < R2 > | 1.553241 | < 1/R > | 1.004277 | < 1/R**2 > | 1.216424 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.026316 | .39963827 |
| 2 | 2s | 4.982857 | -.78267857 |
| 3 | 3s | 6.034534 | -.29843710 |
| 4 | 5s | 10.655048 | -.03297704 |
| 5 | 4s | 22.271113 | .00560097 |
| 6 | 5s | 30.056411 | -.00129297 |
| 7 | 4s | 2.004608 | .00005942 |
| 8 | 3s | 51.368627 | .00003986 |
| ORB.ENERGY,a.u. | -12.435000 | ||
| NORM | 1.000000 | < R > | .560156 | < R2 > | .366111 | < 1/R > | 2.622437 | < 1/R**2 > | 27.765041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426574 | .93793138 |
| 2 | 1s | 18.617745 | .05167699 |
| 3 | 2s | 14.257191 | .01476975 |
| 4 | 3s | 8.881288 | .00224126 |
| 5 | 4s | 46.735943 | -.00062356 |
| 6 | 5s | 61.893201 | .00023164 |
| 7 | 5s | 6.395674 | .00024033 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129251 | < R2 > | .022384 | < 1/R > | 11.675035 | < 1/R**2 > | 274.666027 |
Total Energy= -154.89336260 a.u.
Kinetic Energy= 154.57710373 a.u.
Potential Energy= -309.47046633 a.u.
Virial Ratio = -2.00204596