(1s 2 2s 2 2p 1 3p 1 ) 1 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 2.538326 | .70036114 |
| 2 | 3p | 2.597106 | -1.61273330 |
| 3 | 2p | 8.114653 | .02017761 |
| 4 | 4p | 5.790668 | .02164958 |
| 5 | 5p | 14.918703 | .00151549 |
| 6 | 5p | 2.491233 | -.00984047 |
| ORB.ENERGY,a.u. | -3.169500 | ||
| NORM | 1.000000 | < R > | 1.556348 | < R2 > | 2.680372 | < 1/R > | .728534 | < 1/R**2 > | .686833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.624352 | 1.02788836 |
| 2 | 3p | 2.302920 | -.30809069 |
| 3 | 3p | 1.750835 | -.01039530 |
| 4 | 2p | 8.686792 | .08235007 |
| 5 | 5p | 10.734371 | .00780431 |
| 6 | 4p | 19.436386 | -.00261493 |
| 7 | 5p | 2.452397 | .04651774 |
| 8 | 3p | 22.643908 | -.00070236 |
| ORB.ENERGY,a.u. | -9.024900 | ||
| NORM | 1.000000 | < R > | .500008 | < R2 > | .341440 | < 1/R > | 2.588428 | < 1/R**2 > | 8.994239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.538784 | .34501116 |
| 2 | 2s | 4.258528 | -.79771125 |
| 3 | 3s | 6.391448 | -.27626287 |
| 4 | 4s | 22.927894 | .00137382 |
| 5 | 5s | 12.621725 | -.01433798 |
| 6 | 5s | 5.064214 | .01840291 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .595004 | < R2 > | .415255 | < 1/R > | 2.450191 | < 1/R**2 > | 24.334029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192134 | .92314734 |
| 2 | 1s | 17.425484 | .07873206 |
| 3 | 2s | 9.872589 | .01710050 |
| 4 | 3s | 12.655853 | -.01605270 |
| 5 | 4s | 61.309014 | -.00006723 |
| 6 | 5s | 27.661217 | .00104238 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129679 | < R2 > | .022556 | < 1/R > | 11.648262 | < 1/R**2 > | 273.654186 |
Total Energy= -174.91898198 a.u.
Kinetic Energy= 174.90062207 a.u.
Potential Energy= -349.81960405 a.u.
Virial Ratio = -2.00010497