(1s 2 2s 2 2p 1 3p 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.747899 | .62143049 |
| 2 | 3p | 2.613354 | -1.50629616 |
| 3 | 2p | 7.971799 | .01981028 |
| 4 | 4p | 20.756194 | -.00072321 |
| 5 | 5p | 2.188238 | -.00651059 |
| 6 | 5p | 55.094285 | -.00004367 |
| 7 | 3p | 65.304438 | -.00001184 |
| 8 | 4p | 1.426493 | .00102023 |
| ORB.ENERGY,a.u. | -3.205300 | ||
| NORM | 1.000000 | < R > | 1.543389 | < R2 > | 2.637230 | < 1/R > | .735574 | < 1/R**2 > | .703353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.346568 | .10335028 |
| 2 | 5p | 10.846559 | .01064925 |
| 3 | 4p | 19.323471 | -.00158221 |
| 4 | 5p | 2.440296 | .02754302 |
| 5 | 3p | 17.880579 | -.00162343 |
| 6 | 4p | 1.986201 | -.00894894 |
| 7 | 2p | 4.537936 | 1.02039579 |
| 8 | 3p | 2.422573 | -.31467740 |
| ORB.ENERGY,a.u. | -9.060600 | ||
| NORM | 1.000000 | < R > | .501315 | < R2 > | .344808 | < 1/R > | 2.587073 | < 1/R**2 > | 8.989510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.539670 | .34492989 |
| 2 | 2s | 4.257181 | -.79758232 |
| 3 | 3s | 6.403420 | -.27637511 |
| 4 | 4s | 22.827698 | .00146146 |
| 5 | 5s | 12.579513 | -.01393197 |
| 6 | 5s | 5.032360 | .01792276 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .595066 | < R2 > | .415349 | < 1/R > | 2.449932 | < 1/R**2 > | 24.329156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192125 | .92314813 |
| 2 | 1s | 17.425504 | .07873207 |
| 3 | 2s | 9.848794 | .01716447 |
| 4 | 3s | 12.617947 | -.01607059 |
| 5 | 4s | 60.019280 | -.00007185 |
| 6 | 5s | 27.727204 | .00098791 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129679 | < R2 > | .022556 | < 1/R > | 11.648254 | < 1/R**2 > | 273.653860 |
Total Energy= -174.91923234 a.u.
Kinetic Energy= 174.93646916 a.u.
Potential Energy= -349.85570150 a.u.
Virial Ratio = -1.99990147