(1s 2 2s 2 2p 2 3s 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 9.949877 | .14061409 |
| 2 | 2s | 3.360588 | -.75963588 |
| 3 | 3s | 2.372347 | 1.38239422 |
| 4 | 4s | 8.441366 | -.02284886 |
| 5 | 5s | 14.551237 | -.00464996 |
| 6 | 4s | 39.528313 | -.00002507 |
| 7 | 5s | 1.284703 | .00007589 |
| ORB.ENERGY,a.u. | -2.704500 | ||
| NORM | 1.000000 | < R > | 1.701269 | < R2 > | 3.251768 | < 1/R > | .795381 | < 1/R**2 > | 3.575833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.336345 | 1.18083006 |
| 2 | 3p | 5.226321 | -.20683790 |
| 3 | 2p | 11.654059 | .02271609 |
| 4 | 4p | 14.031669 | .00944386 |
| 5 | 5p | 20.152167 | -.00212291 |
| 6 | 5p | 4.034556 | .00104335 |
| 7 | 4p | 55.366194 | .00003699 |
| ORB.ENERGY,a.u. | -7.506900 | ||
| NORM | 1.000000 | < R > | .547000 | < R2 > | .365037 | < 1/R > | 2.333658 | < 1/R**2 > | 7.460321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.547318 | .39162059 |
| 2 | 2s | 5.044555 | -.85741412 |
| 3 | 3s | 4.916549 | -.27967709 |
| 4 | 4s | 20.086109 | .00346844 |
| 5 | 3s | 10.328615 | .02995362 |
| 6 | 5s | 5.324748 | -.03344475 |
| 7 | 4s | 2.455698 | .01915165 |
| 8 | 3s | 2.008469 | -.00849769 |
| 9 | 5s | 55.741681 | .00004030 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .605566 | < R2 > | .429633 | < 1/R > | 2.399927 | < 1/R**2 > | 23.394700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.203354 | .89693001 |
| 2 | 1s | 16.432194 | .09923676 |
| 3 | 2s | 8.588132 | .02030892 |
| 4 | 3s | 10.966940 | -.01137575 |
| 5 | 5s | 29.260327 | .00117236 |
| 6 | 5s | 3.129817 | -.00096931 |
| 7 | 3s | 50.124541 | -.00006952 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129959 | < R2 > | .022679 | < 1/R > | 11.632634 | < 1/R**2 > | 273.087566 |
Total Energy= -182.73636512 a.u.
Kinetic Energy= 182.70047374 a.u.
Potential Energy= -365.43683886 a.u.
Virial Ratio = -2.00019645