(1s 2 2s 2 4p 1 ) 2 P Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 5.256170 | .32656876 |
| 2 | 3p | 2.085192 | -.82717888 |
| 3 | 5p | 2.250936 | 1.60049042 |
| 4 | 4p | 3.300865 | -.49493949 |
| 5 | 5p | 6.483097 | .04385329 |
| 6 | 4p | 15.192083 | -.00476576 |
| 7 | 5p | 33.789029 | -.00056164 |
| 8 | 4p | 1.651787 | .09497983 |
| 9 | 4p | 51.958662 | -.00011007 |
| 10 | 5p | 1.237844 | -.00207479 |
| ORB.ENERGY,a.u. | -2.142600 | ||
| NORM | 1.000000 | < R > | 2.683476 | < R2 > | 8.161758 | < 1/R > | .536037 | < 1/R**2 > | .813243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.197355 | .37525246 |
| 2 | 2s | 4.709087 | -.79090005 |
| 3 | 3s | 6.043706 | -.28341025 |
| 4 | 5s | 11.511608 | -.02219394 |
| 5 | 4s | 23.820467 | .00318814 |
| 6 | 5s | 34.722540 | -.00055624 |
| 7 | 4s | 2.315362 | .00051980 |
| ORB.ENERGY,a.u. | -11.413000 | ||
| NORM | 1.000000 | < R > | .575897 | < R2 > | .387676 | < 1/R > | 2.536150 | < 1/R**2 > | 25.936838 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.269861 | .93375248 |
| 2 | 1s | 18.369891 | .06391541 |
| 3 | 2s | 12.202927 | .02040102 |
| 4 | 3s | 13.831510 | -.01565369 |
| 5 | 5s | 26.658814 | .00125114 |
| 6 | 4s | 60.556638 | -.00008004 |
| ORB.ENERGY,a.u. | -59.878000 |
| NORM | 1.000000 | < R > | .129301 | < R2 > | .022398 | < 1/R > | 11.670187 | < 1/R**2 > | 274.454566 |
Total Energy= -164.10767704 a.u.
Kinetic Energy= 164.10766976 a.u.
Potential Energy= -328.21534680 a.u.
Virial Ratio = -2.00000004