(1s 2 2s 2 2p 4 3p 1 ) 2 S Mg 3+
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 | 3.608329 | .25198290 |
| 2 | 3p | 1.550854 | -.80459909 |
| 3 | 4p | 2.152996 | -.25234282 |
| 4 | 2p | 7.029427 | .07328167 |
| 5 | 5p | 10.078663 | .00535763 |
| 6 | 5p | 26.574088 | -.00049074 |
| 7 | 4p | 39.833113 | -.00009696 |
| 8 | 5p | 1.414947 | .00692205 |
| ORB.ENERGY,a.u. | -1.220300 | ||
| NORM | 1.000000 | < R > | 2.261654 | < R2 > | 5.824017 | < 1/R > | .576257 | < 1/R**2 > | .708394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.645658 | 1.27777968 |
| 2 | 3p | 4.303338 | -.35728142 |
| 3 | 2p | 9.146619 | .07256244 |
| 4 | 4p | 10.573612 | .01802213 |
| 5 | 5p | 1.627477 | -.00065812 |
| 6 | 5p | 63.130598 | .00001574 |
| ORB.ENERGY,a.u. | -4.510000 | ||
| NORM | 1.000000 | < R > | .603995 | < R2 > | .451906 | < 1/R > | 2.150531 | < 1/R**2 > | 6.456743 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.831142 | .34874075 |
| 2 | 2s | 4.728087 | -.83227812 |
| 3 | 3s | 4.091479 | -.29485417 |
| 4 | 4s | 14.798491 | .00994479 |
| 5 | 3s | 16.345146 | .00497349 |
| 6 | 5s | 29.491127 | .00046339 |
| 7 | 5s | 3.384972 | -.00359236 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .650428 | < R2 > | .501542 | < 1/R > | 2.233736 | < 1/R**2 > | 20.475539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247111 | .91852163 |
| 2 | 1s | 16.946797 | .07927521 |
| 3 | 2s | 6.397925 | .01945312 |
| 4 | 3s | 7.922157 | -.02005519 |
| 5 | 4s | 10.035368 | .00984999 |
| 6 | 5s | 28.482800 | .00091511 |
| 7 | 4s | 62.256004 | -.00005717 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130371 | < R2 > | .022856 | < 1/R > | 11.609763 | < 1/R**2 > | 272.266670 |
Total Energy= -193.22376929 a.u.
Kinetic Energy= 193.20289957 a.u.
Potential Energy= -386.42666886 a.u.
Virial Ratio = -2.00010802