(1s 2 2s 2 2p 4 3d 1 ) 2 F Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 1.409711 | 1.11327003 |
| 2 | 3d | 4.298905 | .03671213 |
| 3 | 4d | 1.832559 | -.13499795 |
| 4 | 5d | 6.515590 | -.00386679 |
| 5 | 5d | 1.300535 | .01191902 |
| 6 | 4d | 25.472391 | .00003310 |
| ORB.ENERGY,a.u. | -.918350 | ||
| NORM | 1.000000 | < R > | 2.470255 | < R2 > | 7.057452 | < 1/R > | .481929 | < 1/R**2 > | .288844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.546694 | 1.29468938 |
| 2 | 3p | 4.133584 | -.38933685 |
| 3 | 2p | 9.007183 | .08274429 |
| 4 | 4p | 10.250583 | .02506370 |
| 5 | 5p | 2.559082 | .01523695 |
| 6 | 5p | 22.068724 | .00069990 |
| 7 | 4p | 2.323965 | -.01830540 |
| 8 | 4p | 37.680109 | .00012542 |
| ORB.ENERGY,a.u. | -4.564700 | ||
| NORM | 1.000000 | < R > | .604697 | < R2 > | .453502 | < 1/R > | 2.149753 | < 1/R**2 > | 6.455042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.818382 | .35000123 |
| 2 | 2s | 4.739535 | -.83362796 |
| 3 | 3s | 4.089634 | -.29548055 |
| 4 | 4s | 14.726724 | .01038466 |
| 5 | 3s | 16.501392 | .00493920 |
| 6 | 5s | 29.089247 | .00050440 |
| 7 | 5s | 3.415049 | -.00258750 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649443 | < R2 > | .499935 | < 1/R > | 2.237328 | < 1/R**2 > | 20.537903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248344 | .91829066 |
| 2 | 1s | 16.927555 | .07951351 |
| 3 | 2s | 6.356608 | .01947557 |
| 4 | 3s | 7.911416 | -.02012794 |
| 5 | 4s | 10.069890 | .00975948 |
| 6 | 5s | 28.463623 | .00098904 |
| 7 | 4s | 64.436367 | -.00005067 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130348 | < R2 > | .022846 | < 1/R > | 11.611126 | < 1/R**2 > | 272.316424 |
Total Energy= -192.91031028 a.u.
Kinetic Energy= 192.90135924 a.u.
Potential Energy= -385.81166952 a.u.
Virial Ratio = -2.00004640