(1s 2 2s 1 3p 1 ) 3 P Mg 8+
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 | 3.757171 | .94585174 |
| 2 | 3p | 3.062990 | -1.56369748 |
| 3 | 2p | 9.183334 | .03717426 |
| 4 | 4p | 9.753560 | .01867634 |
| 5 | 3p | 45.382651 | .00005281 |
| 6 | 5p | 2.280799 | .00060978 |
| 7 | 4p | 74.185533 | -.00001768 |
| ORB.ENERGY,a.u. | -4.756800 | ||
| NORM | 1.000000 | < R > | 1.313036 | < R2 > | 1.986012 | < 1/R > | 1.060958 | < 1/R**2 > | 2.320582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.155478 | .38943949 |
| 2 | 2s | 4.835165 | -.78339074 |
| 3 | 3s | 6.269985 | -.29293738 |
| 4 | 5s | 10.540220 | -.02774348 |
| 5 | 4s | 21.383687 | .00628059 |
| 6 | 5s | 28.374485 | -.00142669 |
| 7 | 4s | 3.326401 | -.00103239 |
| 8 | 3s | 46.395067 | .00005603 |
| ORB.ENERGY,a.u. | -12.625000 | ||
| NORM | 1.000000 | < R > | .563373 | < R2 > | .370659 | < 1/R > | 2.606042 | < 1/R**2 > | 27.429653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.425032 | .93739897 |
| 2 | 1s | 18.559036 | .05210528 |
| 3 | 2s | 14.138825 | .01468296 |
| 4 | 3s | 8.848861 | .00220662 |
| 5 | 4s | 48.308827 | -.00057939 |
| 6 | 5s | 64.725056 | .00021203 |
| 7 | 5s | 17.150515 | .00041662 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129310 | < R2 > | .022405 | < 1/R > | 11.670997 | < 1/R**2 > | 274.511830 |
Total Energy= -154.82613999 a.u.
Kinetic Energy= 154.83841863 a.u.
Potential Energy= -309.66455863 a.u.
Virial Ratio = -1.99992070