(1s 2 2s 2 2p 5 4d 1 ) 3 F Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | .884821 | 1.25601644 |
| 2 | 4d | .755550 | -1.77208649 |
| 3 | 3d | 3.623905 | .03246657 |
| 4 | 4d | 2.244751 | .03496570 |
| 5 | 5d | 5.962377 | -.00362293 |
| 6 | 4d | 21.475176 | .00003733 |
| ORB.ENERGY,a.u. | -.290420 | ||
| NORM | 1.000000 | < R > | 6.699842 | < R2 > | 51.659738 | < 1/R > | .202040 | < 1/R**2 > | .070559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.354722 | 1.33677817 |
| 2 | 3p | 4.027044 | -.43456904 |
| 3 | 2p | 8.642643 | .09262295 |
| 4 | 3p | 16.015864 | .00010447 |
| 5 | 5p | 2.233402 | .00859263 |
| 6 | 4p | 10.009509 | .02146659 |
| 7 | 4p | 1.861589 | -.00765077 |
| 8 | 5p | 31.647364 | -.00010448 |
| ORB.ENERGY,a.u. | -3.718600 | ||
| NORM | 1.000000 | < R > | .640308 | < R2 > | .513658 | < 1/R > | 2.053793 | < 1/R**2 > | 5.963999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891171 | .33582151 |
| 2 | 2s | 4.636583 | -.82505060 |
| 3 | 3s | 3.825632 | -.30278481 |
| 4 | 4s | 15.724800 | .00597805 |
| 5 | 3s | 14.486213 | .00635890 |
| 6 | 5s | 33.249730 | .00022294 |
| 7 | 5s | 2.777503 | -.00116201 |
| 8 | 4s | 3.097614 | .00221697 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669223 | < R2 > | .533313 | < 1/R > | 2.171224 | < 1/R**2 > | 19.418961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716157 |
| 2 | 1s | 16.607906 | .09137942 |
| 3 | 2s | 6.096203 | .01901260 |
| 4 | 3s | 7.738822 | -.02089333 |
| 5 | 4s | 9.892511 | .01071622 |
| 6 | 5s | 28.788859 | .00103416 |
| 7 | 4s | 67.691780 | -.00004070 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603328 | < 1/R**2 > | 272.038408 |
Total Energy= -196.23033854 a.u.
Kinetic Energy= 196.23091101 a.u.
Potential Energy= -392.46124954 a.u.
Virial Ratio = -1.99999708