(1s 2 2s 2 2p 4 5p 1 ) 2 S Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 2.837818 | .14852455 |
| 2 | 3p | 1.223242 | -1.43159101 |
| 3 | 4p | 1.028849 | 3.32000657 |
| 4 | 5p | .866479 | -2.56953224 |
| 5 | 5p | 15.832897 | -.00140277 |
| 6 | 4p | 23.506786 | -.00052377 |
| 7 | 2p | 1.395829 | -.07696575 |
| 8 | 2p | 6.254435 | .05058384 |
| 9 | 4p | .538673 | .00784827 |
| 10 | 5p | 77.473370 | -.00000847 |
| ORB.ENERGY,a.u. | -.380800 | ||
| NORM | 1.000002 | < R > | 7.655797 | < R2 > | 65.902242 | < 1/R > | .185055 | < 1/R**2 > | .126733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.681684 | 1.27338912 |
| 2 | 3p | 4.383158 | -.34775645 |
| 3 | 2p | 9.239306 | .06830658 |
| 4 | 4p | 10.618935 | .01740420 |
| 5 | 5p | 1.641177 | .00086588 |
| 6 | 5p | 63.047854 | .00001600 |
| 7 | 4p | .567940 | -.00080531 |
| ORB.ENERGY,a.u. | -4.922300 | ||
| NORM | 1.000000 | < R > | .603507 | < R2 > | .451221 | < 1/R > | 2.152142 | < 1/R**2 > | 6.465653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.830903 | .34954136 |
| 2 | 2s | 4.733088 | -.83193591 |
| 3 | 3s | 4.120860 | -.29366152 |
| 4 | 4s | 14.892016 | .00955324 |
| 5 | 3s | 16.132785 | .00513814 |
| 6 | 5s | 29.929130 | .00041884 |
| 7 | 5s | 4.096089 | -.00414394 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648803 | < R2 > | .498681 | < 1/R > | 2.238874 | < 1/R**2 > | 20.561460 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247932 | .91829752 |
| 2 | 1s | 16.928669 | .07951178 |
| 3 | 2s | 6.352522 | .01949846 |
| 4 | 3s | 7.900158 | -.02015799 |
| 5 | 4s | 10.053407 | .00979087 |
| 6 | 5s | 28.383846 | .00097517 |
| 7 | 4s | 64.324126 | -.00005351 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130354 | < R2 > | .022849 | < 1/R > | 11.610746 | < 1/R**2 > | 272.302407 |
Total Energy= -192.36678084 a.u.
Kinetic Energy= 192.36369764 a.u.
Potential Energy= -384.73047847 a.u.
Virial Ratio = -2.00001603