(1s 2 2s 1 2p 1 ) 1 P Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 4.890692 | .99952115 |
| 2 | 2p | 9.565715 | .03186257 |
| 3 | 2p | 23.360298 | .00090844 |
| 4 | 3p | 4.265491 | .02599898 |
| 5 | 4p | 7.380616 | -.04852129 |
| 6 | 5p | 38.821337 | .00012354 |
| 7 | 3p | 30.872061 | .00026359 |
| ORB.ENERGY,a.u. | -10.751000 | ||
| NORM | 1.000000 | < R > | .503662 | < R2 > | .307887 | < 1/R > | 2.516898 | < 1/R**2 > | 8.596404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.413077 | .36465595 |
| 2 | 2s | 4.461553 | -.80201402 |
| 3 | 3s | 6.423620 | -.29021080 |
| 4 | 4s | 19.573767 | .00904803 |
| 5 | 5s | 25.225669 | -.00251087 |
| 6 | 5s | 4.508989 | .01542134 |
| 7 | 3s | 44.671998 | .00007571 |
| 8 | 4s | 3.474159 | -.00417758 |
| ORB.ENERGY,a.u. | -11.496000 | ||
| NORM | 1.000000 | < R > | .582985 | < R2 > | .397874 | < 1/R > | 2.521503 | < 1/R**2 > | 26.012474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.400241 | .93230725 |
| 2 | 1s | 17.825489 | .05823751 |
| 3 | 2s | 11.979348 | .01409096 |
| 4 | 3s | 5.373656 | .00331964 |
| 5 | 4s | 42.436730 | -.00037725 |
| 6 | 5s | 11.587709 | .00259777 |
| 7 | 3s | 58.475502 | -.00007053 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129942 | < R2 > | .022695 | < 1/R > | 11.638196 | < 1/R**2 > | 273.348100 |
Total Energy= -161.30293295 a.u.
Kinetic Energy= 160.82959468 a.u.
Potential Energy= -322.13252763 a.u.
Virial Ratio = -2.00294310