(1s 2 2s 2 2p 4 5s 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 10.060732 | .04598685 |
| 2 | 2s | 3.576387 | -.20489941 |
| 3 | 3s | 1.560673 | 1.07662279 |
| 4 | 4s | 1.121102 | -2.64939736 |
| 5 | 5s | .938855 | 2.35301954 |
| 6 | 5s | 4.226030 | -.01056730 |
| 7 | 4s | 9.513124 | -.00948814 |
| 8 | 5s | 60.872364 | -.00001001 |
| ORB.ENERGY,a.u. | -.429330 | ||
| NORM | 1.000000 | < R > | 7.016670 | < R2 > | 55.120645 | < 1/R > | .201577 | < 1/R**2 > | .404985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.685799 | 1.27401240 |
| 2 | 3p | 4.394703 | -.34762080 |
| 3 | 5p | 62.939112 | .00001610 |
| 4 | 5p | 2.932434 | .00074897 |
| 5 | 2p | 9.258794 | .06745205 |
| 6 | 4p | 10.626697 | .01729234 |
| ORB.ENERGY,a.u. | -4.920700 | ||
| NORM | 1.000000 | < R > | .603746 | < R2 > | .451587 | < 1/R > | 2.151504 | < 1/R**2 > | 6.462384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.727189 | .30665969 |
| 2 | 2s | 3.854608 | -.80680342 |
| 3 | 3s | 6.625526 | -.21434546 |
| 4 | 4s | 5.163787 | -.03183034 |
| 5 | 5s | 13.577341 | -.01186382 |
| 6 | 5s | 1.182224 | -.01967487 |
| 7 | 4s | 1.055388 | .05692527 |
| 8 | 3s | 46.518617 | -.00014209 |
| 9 | 3s | .844414 | -.03832292 |
| 10 | 4s | 76.175961 | .00003861 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648877 | < R2 > | .499090 | < 1/R > | 2.238874 | < 1/R**2 > | 20.562373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248203 | .91830537 |
| 2 | 1s | 16.929345 | .07949550 |
| 3 | 2s | 6.358115 | .01947655 |
| 4 | 3s | 7.901853 | -.02015386 |
| 5 | 4s | 10.056924 | .00978421 |
| 6 | 5s | 28.505782 | .00098311 |
| 7 | 4s | 64.211180 | -.00005044 |
| 8 | 5s | 4.465984 | .00003565 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610994 | < 1/R**2 > | 272.311062 |
Total Energy= -192.40991140 a.u.
Kinetic Energy= 192.41190857 a.u.
Potential Energy= -384.82181998 a.u.
Virial Ratio = -1.99998962