(1s 1 4p 1 ) 3 P Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 5.571317 | .41823937 |
| 2 | 3p | 2.439246 | -1.02857382 |
| 3 | 5p | 2.926363 | 1.95179387 |
| 4 | 4p | 4.129077 | -.64885683 |
| 5 | 5p | 8.120619 | .01651118 |
| 6 | 4p | 17.909736 | -.00199450 |
| 7 | 5p | 2.343731 | .05105428 |
| 8 | 5p | 44.650657 | -.00009155 |
| 9 | 3p | 45.161763 | -.00003711 |
| ORB.ENERGY,a.u. | -3.950200 | ||
| NORM | 1.000000 | < R > | 2.075085 | < R2 > | 4.884403 | < 1/R > | .694106 | < 1/R**2 > | 1.301698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.744343 | .88914138 |
| 2 | 1s | 14.392303 | .10568542 |
| 3 | 2s | 14.608307 | .00987805 |
| 4 | 3s | 10.955413 | -.00550791 |
| 5 | 4s | 12.648086 | .00066644 |
| 6 | 5s | 12.986200 | .00073612 |
| ORB.ENERGY,a.u. | -71.450000 |
| NORM | 1.000000 | < R > | .125052 | < R2 > | .020852 | < 1/R > | 11.996206 | < 1/R**2 > | 287.850510 |
Total Energy= -75.79959417 a.u.
Kinetic Energy= 75.80914423 a.u.
Potential Energy= -151.60873839 a.u.
Virial Ratio = -1.99987402