(1s 2 2s 2 2p 2 3p 1 ) 2 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3.779635 | .60978443 |
| 2 | 3p | 2.262863 | -1.21162994 |
| 3 | 2p | 9.599389 | .02861327 |
| 4 | 4p | 5.841616 | -.06973986 |
| 5 | 5p | 14.323951 | .00284510 |
| 6 | 5p | 2.355520 | .01456658 |
| 7 | 4p | 32.684816 | -.00003227 |
| ORB.ENERGY,a.u. | -2.514600 | ||
| NORM | 1.000000 | < R > | 1.666279 | < R2 > | 3.178940 | < 1/R > | .814949 | < 1/R**2 > | 1.410409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.251637 | 1.19403328 |
| 2 | 3p | 4.968471 | -.23393061 |
| 3 | 2p | 10.610767 | .03357039 |
| 4 | 4p | 2.142244 | .00493114 |
| 5 | 4p | 11.548021 | .00922311 |
| 6 | 5p | 25.850003 | -.00027796 |
| 7 | 5p | 2.161265 | -.00209851 |
| ORB.ENERGY,a.u. | -7.568200 | ||
| NORM | 1.000000 | < R > | .547471 | < R2 > | .366303 | < 1/R > | 2.334079 | < 1/R**2 > | 7.466443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.752534 | .37554197 |
| 2 | 2s | 4.907727 | -.83528003 |
| 3 | 3s | 4.981643 | -.27190817 |
| 4 | 4s | 19.504367 | .00257115 |
| 5 | 3s | 11.695388 | .01728252 |
| 6 | 5s | 4.838377 | -.03486561 |
| 7 | 5s | 2.950528 | -.00055806 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612867 | < R2 > | .441921 | < 1/R > | 2.374914 | < 1/R**2 > | 22.960133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154118 | .91208560 |
| 2 | 1s | 17.198659 | .08785799 |
| 3 | 2s | 10.294508 | .01906506 |
| 4 | 3s | 13.114701 | -.01554109 |
| 5 | 5s | 28.326649 | .00116950 |
| 6 | 4s | 67.602596 | -.00004443 |
| 7 | 5s | 9.537274 | .00068605 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129962 | < R2 > | .022677 | < 1/R > | 11.632270 | < 1/R**2 > | 273.074913 |
Total Energy= -182.42881373 a.u.
Kinetic Energy= 182.51335649 a.u.
Potential Energy= -364.94217021 a.u.
Virial Ratio = -1.99953679