(1s 2 2s 2 2p 1 4p 1 ) 3 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 5.405653 | .26118407 |
| 2 | 3p | 1.830706 | -.56650715 |
| 3 | 5p | 2.077629 | 1.16550148 |
| 4 | 4p | 3.038905 | -.58597746 |
| 5 | 5p | 6.788785 | .02820563 |
| 6 | 4p | 16.104899 | -.00317585 |
| 7 | 5p | 1.857154 | .41519345 |
| 8 | 5p | 35.396935 | -.00034741 |
| 9 | 4p | 53.921865 | -.00007236 |
| ORB.ENERGY,a.u. | -1.710400 | ||
| NORM | 1.000000 | < R > | 2.945960 | < R2 > | 9.812620 | < 1/R > | .479100 | < 1/R**2 > | .643713 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.682671 | 1.07771638 |
| 2 | 3p | 5.717856 | -.10160593 |
| 3 | 2p | 11.368900 | .02107928 |
| 4 | 5p | 14.003577 | .00401747 |
| 5 | 4p | 26.185036 | -.00025585 |
| 6 | 5p | 5.039549 | .01221831 |
| 7 | 5p | 84.926689 | -.00000304 |
| 8 | 4p | 4.628937 | -.00375576 |
| ORB.ENERGY,a.u. | -9.338700 | ||
| NORM | 1.000000 | < R > | .521656 | < R2 > | .330361 | < 1/R > | 2.431986 | < 1/R**2 > | 8.042039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.530301 | .34660345 |
| 2 | 2s | 4.273912 | -.79732329 |
| 3 | 3s | 6.410343 | -.27753121 |
| 4 | 4s | 22.678358 | .00154608 |
| 5 | 5s | 12.562264 | -.01403905 |
| 6 | 5s | 4.825202 | .01910463 |
| 7 | 4s | 2.252241 | .00048636 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592859 | < R2 > | .411913 | < 1/R > | 2.458700 | < 1/R**2 > | 24.487690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194153 | .92262037 |
| 2 | 1s | 17.380031 | .07927941 |
| 3 | 2s | 9.738465 | .01714312 |
| 4 | 3s | 12.457300 | -.01614501 |
| 5 | 4s | 60.245518 | -.00007219 |
| 6 | 5s | 27.687439 | .00098046 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129643 | < R2 > | .022541 | < 1/R > | 11.650468 | < 1/R**2 > | 273.735509 |
Total Energy= -173.42694235 a.u.
Kinetic Energy= 173.44239843 a.u.
Potential Energy= -346.86934077 a.u.
Virial Ratio = -1.99991089