(1s 2 2s 2 2p 3 4d 1 ) 5 D Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 4d- electron | |
| 1 | 3d | 1.525997 | 1.11918401 |
| 2 | 4d | 1.273856 | -1.66958456 |
| 3 | 3d | 4.731807 | .04362835 |
| 4 | 4d | 3.409405 | .04936561 |
| 5 | 5d | 14.764531 | -.00012962 |
| 6 | 4d | 39.752869 | .00000430 |
| ORB.ENERGY,a.u. | -.822330 | ||
| NORM | .999999 | < R > | 3.935364 | < R2 > | 17.821776 | < 1/R > | .344118 | < 1/R**2 > | .204326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.266793 | 1.43368820 |
| 2 | 3p | 5.527617 | -.55166488 |
| 3 | 4p | 6.851325 | .11117994 |
| 4 | 4p | 2.761761 | .01877703 |
| 5 | 5p | 19.945684 | -.00293511 |
| 6 | 4p | 25.728496 | -.00152561 |
| 7 | 5p | 2.792965 | -.01002620 |
| 8 | 3p | 3.499901 | -.00025754 |
| 9 | 3p | 34.736896 | -.00015202 |
| ORB.ENERGY,a.u. | -6.499800 | ||
| NORM | 1.000000 | < R > | .570606 | < R2 > | .399651 | < 1/R > | 2.252321 | < 1/R**2 > | 7.000704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.750931 | .36499882 |
| 2 | 2s | 4.843374 | -.83973491 |
| 3 | 3s | 4.495257 | -.28102200 |
| 4 | 4s | 19.365088 | .00242260 |
| 5 | 3s | 11.775768 | .01662126 |
| 6 | 5s | 4.628770 | -.01842950 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .629617 | < R2 > | .467718 | < 1/R > | 2.308601 | < 1/R**2 > | 21.774550 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.167662 | .91184021 |
| 2 | 1s | 17.087617 | .08750353 |
| 3 | 2s | 9.792581 | .01780710 |
| 4 | 3s | 13.871853 | -.01495558 |
| 5 | 4s | 22.023998 | .00341605 |
| 6 | 5s | 40.194551 | .00010237 |
| 7 | 5s | 8.179974 | .00074088 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130162 | < R2 > | .022765 | < 1/R > | 11.621302 | < 1/R**2 > | 272.681322 |
Total Energy= -187.67359464 a.u.
Kinetic Energy= 187.68281757 a.u.
Potential Energy= -375.35641221 a.u.
Virial Ratio = -1.99995086