(1s 2 2s 2 2p 1 5d 1 ) 1 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 1.888431 | 1.27780886 |
| 2 | 4d | 1.540302 | -3.80559598 |
| 3 | 5d | 1.401937 | 3.20273351 |
| 4 | 3d | 4.220819 | .05833297 |
| 5 | 5d | 1.080744 | -.01848038 |
| 6 | 5d | 6.454981 | -.00897440 |
| 7 | 4d | 23.210465 | .00006739 |
| 8 | 3d | 34.625812 | .00000657 |
| ORB.ENERGY,a.u. | -1.014300 | ||
| NORM | 1.000002 | < R > | 4.747895 | < R2 > | 25.594920 | < 1/R > | .294189 | < 1/R**2 > | .181851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.671472 | 1.07778632 |
| 2 | 3p | 5.702861 | -.10138448 |
| 3 | 2p | 11.413194 | .02116885 |
| 4 | 5p | 14.407279 | .00393670 |
| 5 | 4p | 26.591148 | -.00016386 |
| 6 | 5p | 5.007250 | .01275536 |
| 7 | 5p | 76.830094 | -.00000124 |
| 8 | 4p | 4.142450 | -.00496870 |
| ORB.ENERGY,a.u. | -9.481000 | ||
| NORM | 1.000000 | < R > | .522542 | < R2 > | .331414 | < 1/R > | 2.427777 | < 1/R**2 > | 8.015360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.529531 | .34704666 |
| 2 | 2s | 4.275589 | -.79823536 |
| 3 | 3s | 6.407793 | -.27702946 |
| 4 | 4s | 22.908212 | .00142553 |
| 5 | 5s | 12.607118 | -.01470264 |
| 6 | 5s | 4.807568 | .02082304 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592190 | < R2 > | .410929 | < 1/R > | 2.461569 | < 1/R**2 > | 24.540070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.195103 | .92231072 |
| 2 | 1s | 17.346858 | .07966963 |
| 3 | 2s | 9.604270 | .01719526 |
| 4 | 3s | 12.292179 | -.01627866 |
| 5 | 4s | 59.193358 | -.00007884 |
| 6 | 5s | 27.747910 | .00091121 |
| 7 | 4s | 3.342151 | .00002367 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129619 | < R2 > | .022532 | < 1/R > | 11.651909 | < 1/R**2 > | 273.789192 |
Total Energy= -172.73927822 a.u.
Kinetic Energy= 172.74699901 a.u.
Potential Energy= -345.48627723 a.u.
Virial Ratio = -1.99995531