(1s 2 2s 2 2p 3 ) 4 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 4.104566 | 1.25342624 |
| 2 | 3p | 4.979469 | -.28482069 |
| 3 | 2p | 11.305613 | .02624025 |
| 4 | 4p | 13.420236 | .01089817 |
| 5 | 5p | 18.847423 | -.00242674 |
| 6 | 5p | 3.427087 | .00168209 |
| 7 | 4p | 51.283849 | .00004835 |
| ORB.ENERGY,a.u. | -6.862300 | ||
| NORM | 1.000000 | < R > | .569372 | < R2 > | .397674 | < 1/R > | 2.255822 | < 1/R**2 > | 7.018707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.790754 | .36314451 |
| 2 | 2s | 4.835987 | -.82868164 |
| 3 | 3s | 4.661618 | -.27429545 |
| 4 | 4s | 19.360395 | .00251540 |
| 5 | 3s | 11.875540 | .01530156 |
| 6 | 5s | 4.826056 | -.03393346 |
| 7 | 5s | 3.418347 | -.00078236 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .628880 | < R2 > | .466465 | < 1/R > | 2.311032 | < 1/R**2 > | 21.816269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.158533 | .91240788 |
| 2 | 1s | 17.528655 | .08449174 |
| 3 | 2s | 12.002255 | .01972062 |
| 4 | 3s | 14.079284 | -.01339097 |
| 5 | 5s | 27.721261 | .00100606 |
| 6 | 4s | 7.260246 | .00088097 |
| 7 | 5s | 12.122299 | .00203665 |
| 8 | 3s | 42.055324 | -.00014410 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .130165 | < R2 > | .022766 | < 1/R > | 11.621123 | < 1/R**2 > | 272.674581 |
Total Energy= -186.86044433 a.u.
Kinetic Energy= 186.86044534 a.u.
Potential Energy= -373.72088967 a.u.
Virial Ratio = -1.99999999