(1s 2 2s 2 2p 2 3p 1 ) 4 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3.888980 | .59769468 |
| 2 | 3p | 2.264551 | -1.22188064 |
| 3 | 2p | 10.374362 | .01979953 |
| 4 | 4p | 6.306159 | -.05945871 |
| 5 | 5p | 15.019370 | .00209813 |
| 6 | 5p | 4.139622 | .03456825 |
| ORB.ENERGY,a.u. | -2.481100 | ||
| NORM | 1.000000 | < R > | 1.682910 | < R2 > | 3.239822 | < 1/R > | .804218 | < 1/R**2 > | 1.372120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.141196 | 1.29323766 |
| 2 | 3p | 4.786733 | -.32895747 |
| 3 | 2p | 11.281737 | .02760134 |
| 4 | 4p | 13.355645 | .01106806 |
| 5 | 5p | 19.001299 | -.00227154 |
| 6 | 5p | 3.028005 | .02081400 |
| 7 | 4p | 2.777281 | -.02403285 |
| 8 | 4p | 51.882295 | .00004583 |
| ORB.ENERGY,a.u. | -7.534600 | ||
| NORM | 1.000000 | < R > | .546946 | < R2 > | .365704 | < 1/R > | 2.336492 | < 1/R**2 > | 7.481129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.763710 | .37493252 |
| 2 | 2s | 4.900804 | -.83413592 |
| 3 | 3s | 4.995937 | -.27143683 |
| 4 | 4s | 19.421386 | .00261889 |
| 5 | 3s | 11.770727 | .01664389 |
| 6 | 5s | 4.832705 | -.03520991 |
| 7 | 4s | 2.454045 | -.00052108 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612806 | < R2 > | .441823 | < 1/R > | 2.375138 | < 1/R**2 > | 22.964156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154115 | .91208429 |
| 2 | 1s | 17.198335 | .08786125 |
| 3 | 2s | 10.292168 | .01906625 |
| 4 | 3s | 13.115498 | -.01554079 |
| 5 | 5s | 28.337937 | .00117022 |
| 6 | 4s | 67.629656 | -.00004423 |
| 7 | 5s | 9.509813 | .00068142 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129962 | < R2 > | .022677 | < 1/R > | 11.632268 | < 1/R**2 > | 273.074827 |
Total Energy= -182.43048887 a.u.
Kinetic Energy= 182.47977481 a.u.
Potential Energy= -364.91026368 a.u.
Virial Ratio = -1.99972991