(1s 2 2s 2 2p 1 5p 1 ) 3 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 3.457580 | .35373452 |
| 2 | 3p | 1.819412 | -2.53706651 |
| 3 | 4p | 1.496183 | 7.05784827 |
| 4 | 5p | 1.472703 | -5.50477661 |
| 5 | 2p | 8.582872 | .02199963 |
| 6 | 5p | 14.717534 | .00163832 |
| 7 | 5p | 6.955149 | -.01630196 |
| ORB.ENERGY,a.u. | -1.068000 | ||
| NORM | 1.000000 | < R > | 4.788236 | < R2 > | 25.773271 | < 1/R > | .300630 | < 1/R**2 > | .318921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.678681 | 1.08142056 |
| 2 | 3p | 5.805219 | -.10562454 |
| 3 | 2p | 10.970791 | .02269208 |
| 4 | 5p | 12.988871 | .00411381 |
| 5 | 4p | 24.035607 | -.00070030 |
| 6 | 5p | 4.847963 | .00639554 |
| 7 | 5p | 72.278997 | -.00001606 |
| ORB.ENERGY,a.u. | -9.487900 | ||
| NORM | 1.000000 | < R > | .521769 | < R2 > | .330443 | < 1/R > | 2.431167 | < 1/R**2 > | 8.036262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.529053 | .34703226 |
| 2 | 2s | 4.274438 | -.79860505 |
| 3 | 3s | 6.417072 | -.27706139 |
| 4 | 4s | 22.726361 | .00154551 |
| 5 | 5s | 12.545353 | -.01417807 |
| 6 | 5s | 4.790183 | .02072275 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592245 | < R2 > | .410996 | < 1/R > | 2.461299 | < 1/R**2 > | 24.535532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.196711 | .92307302 |
| 2 | 1s | 17.431531 | .07856250 |
| 3 | 2s | 10.084752 | .01695676 |
| 4 | 3s | 12.744304 | -.01585495 |
| 5 | 4s | 63.572030 | -.00005864 |
| 6 | 5s | 27.780698 | .00113234 |
| 7 | 5s | 7.568500 | .00010345 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129631 | < R2 > | .022537 | < 1/R > | 11.651181 | < 1/R**2 > | 273.761947 |
Total Energy= -172.79329451 a.u.
Kinetic Energy= 172.80036904 a.u.
Potential Energy= -345.59366355 a.u.
Virial Ratio = -1.99995906