(1s 2 2s 2 2p 4 ) 3 P Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 4.069573 | 1.52165558 |
| 2 | 3p | 5.399173 | -.65148233 |
| 3 | 4p | 6.825823 | .11879932 |
| 4 | 5p | 3.312232 | .02662049 |
| 5 | 4p | 18.386708 | -.00280837 |
| 6 | 3p | 22.847644 | -.00058588 |
| 7 | 5p | 2.803260 | -.01227489 |
| 8 | 3p | 1.685725 | .00251647 |
| ORB.ENERGY,a.u. | -5.122600 | ||
| NORM | 1.000000 | < R > | .603333 | < R2 > | .450885 | < 1/R > | 2.152604 | < 1/R**2 > | 6.468069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.811750 | .35072401 |
| 2 | 2s | 4.600792 | -.89951440 |
| 3 | 3s | 3.976234 | -.21631533 |
| 4 | 4s | 18.768909 | .00220745 |
| 5 | 3s | 12.092183 | .01422907 |
| 6 | 5s | 5.284563 | -.01127193 |
| 7 | 3s | 37.982124 | -.00004118 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .648480 | < R2 > | .498129 | < 1/R > | 2.239932 | < 1/R**2 > | 20.579291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.153366 | .90997270 |
| 2 | 1s | 16.997725 | .08968057 |
| 3 | 2s | 9.168415 | .01827984 |
| 4 | 3s | 13.708557 | -.01529445 |
| 5 | 4s | 21.455433 | .00358708 |
| 6 | 5s | 40.113419 | .00016438 |
| 7 | 5s | 7.310438 | .00067457 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130351 | < R2 > | .022847 | < 1/R > | 11.610955 | < 1/R**2 > | 272.310015 |
Total Energy= -191.98293040 a.u.
Kinetic Energy= 191.98292218 a.u.
Potential Energy= -383.96585259 a.u.
Virial Ratio = -2.00000004