(1s 2 2s 2 2p 4 4p 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 4.887556 | .14019557 |
| 2 | 3p | .871052 | 1.98829609 |
| 3 | 4p | 1.751718 | -1.35417240 |
| 4 | 5p | 3.220122 | -.15322504 |
| 5 | 3p | 6.883243 | -.02210506 |
| 6 | 5p | .840359 | -.31203334 |
| 7 | 4p | 19.791119 | -.00040521 |
| 8 | 4p | .536131 | .15302117 |
| 9 | 5p | 56.552783 | -.00001554 |
| 10 | 5p | .541670 | -.06748967 |
| ORB.ENERGY,a.u. | -.611360 | ||
| NORM | 1.000001 | < R > | 4.708725 | < R2 > | 24.996787 | < 1/R > | .280920 | < 1/R**2 > | .193145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.803280 | 1.33596441 |
| 2 | 3p | 4.687464 | -.37741374 |
| 3 | 2p | 11.192090 | .03143764 |
| 4 | 4p | 12.233774 | .01649970 |
| 5 | 5p | 1.307970 | .02285978 |
| 6 | 4p | 1.482347 | -.01538214 |
| 7 | 3p | 17.551877 | .00196218 |
| 8 | 5p | 41.843164 | -.00002787 |
| 9 | 3p | .778515 | .00297480 |
| ORB.ENERGY,a.u. | -4.785800 | ||
| NORM | 1.000000 | < R > | .602526 | < R2 > | .453027 | < 1/R > | 2.155210 | < 1/R**2 > | 6.478770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.837830 | .34900437 |
| 2 | 2s | 4.729571 | -.83030402 |
| 3 | 3s | 4.136665 | -.29266451 |
| 4 | 4s | 14.990693 | .00922191 |
| 5 | 3s | 16.038648 | .00513530 |
| 6 | 5s | 30.325340 | .00038780 |
| 7 | 5s | 4.136810 | -.00645514 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649114 | < R2 > | .499207 | < 1/R > | 2.237812 | < 1/R**2 > | 20.543264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247795 | .91829679 |
| 2 | 1s | 16.928630 | .07951253 |
| 3 | 2s | 6.351685 | .01951448 |
| 4 | 3s | 7.895409 | -.02017012 |
| 5 | 4s | 10.043850 | .00980776 |
| 6 | 5s | 28.317323 | .00096671 |
| 7 | 4s | 64.295789 | -.00005596 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130358 | < R2 > | .022850 | < 1/R > | 11.610549 | < 1/R**2 > | 272.295288 |
Total Energy= -192.60986119 a.u.
Kinetic Energy= 192.59424040 a.u.
Potential Energy= -385.20410159 a.u.
Virial Ratio = -2.00008111