(1s 2 2s 2 2p 2 ) 1 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 4.480457 | 1.10064817 |
| 2 | 3p | 5.844640 | -.13670246 |
| 3 | 2p | 10.092807 | .03094558 |
| 4 | 5p | 12.556214 | .00478679 |
| 5 | 4p | 23.909650 | -.00084768 |
| 6 | 5p | 4.620011 | .02235366 |
| 7 | 5p | 71.586927 | -.00002216 |
| 8 | 4p | 4.113036 | -.00540017 |
| ORB.ENERGY,a.u. | -8.080100 | ||
| NORM | 1.000000 | < R > | .548304 | < R2 > | .367274 | < 1/R > | 2.331419 | < 1/R**2 > | 7.456021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.477410 | .33902464 |
| 2 | 2s | 4.262299 | -.80769996 |
| 3 | 3s | 5.961956 | -.28197030 |
| 4 | 4s | 22.204530 | .00157055 |
| 5 | 5s | 12.727579 | -.01025159 |
| 6 | 5s | 7.683332 | .02796452 |
| 7 | 4s | 3.263770 | .00071472 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .609539 | < R2 > | .436627 | < 1/R > | 2.387541 | < 1/R**2 > | 23.184588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.112985 | .94356682 |
| 2 | 1s | 18.374334 | .06726067 |
| 3 | 2s | 9.844336 | .01527666 |
| 4 | 3s | 19.011959 | -.00896973 |
| 5 | 4s | 14.936981 | -.01649240 |
| 6 | 5s | 34.481440 | .00060048 |
| 7 | 5s | 7.023382 | .00024550 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129910 | < R2 > | .022656 | < 1/R > | 11.635356 | < 1/R**2 > | 273.188306 |
Total Energy= -179.99891057 a.u.
Kinetic Energy= 179.81028800 a.u.
Potential Energy= -359.80919856 a.u.
Virial Ratio = -2.00104901