(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P Mg 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 5.679022 | .02558127 |
| 2 | 2p | 1.171473 | -.08876942 |
| 3 | 3p | .593586 | -.70524036 |
| 4 | 2p | 2.734617 | .06693782 |
| 5 | 2p | 10.951863 | .00120242 |
| 6 | 4p | .502184 | -.29663331 |
| 7 | 4p | 22.817786 | -.00005256 |
| ORB.ENERGY,a.u. | -.099341 | ||
| NORM | 1.000000 | < R > | 6.507117 | < R2 > | 49.563193 | < 1/R > | .189694 | < 1/R**2 > | .063283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .394722 | -.05018706 |
| 2 | 1s | 4.018821 | .20092666 |
| 3 | 1s | 13.532063 | .01473514 |
| 4 | 2s | 4.972781 | -.36731914 |
| 5 | 3s | 1.155964 | .82268646 |
| 6 | 4s | 2.012925 | .25734490 |
| 7 | 5s | 5.492473 | -.05474678 |
| 8 | 4s | 42.646201 | -.00006542 |
| 9 | 3s | 24.694800 | .00014203 |
| ORB.ENERGY,a.u. | -.243170 | ||
| NORM | 1.000000 | < R > | 2.814535 | < R2 > | 9.056491 | < 1/R > | .459357 | < 1/R**2 > | 1.097120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.303331 | .57444148 |
| 2 | 3p | 4.152054 | .36168526 |
| 3 | 4p | 3.839857 | .13415770 |
| 4 | 5p | 3.243974 | .05014424 |
| 5 | 2p | 12.057574 | .01556405 |
| 6 | 5p | 9.585277 | -.01352012 |
| 7 | 4p | 50.144386 | .00001685 |
| 8 | 3p | 1.514218 | .00303643 |
| 9 | 4p | .593982 | .00042550 |
| ORB.ENERGY,a.u. | -2.072600 | ||
| NORM | 1.000000 | < R > | .683895 | < R2 > | .595170 | < 1/R > | 1.953528 | < 1/R**2 > | 5.477872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.367244 | .30369879 |
| 2 | 2s | 4.712165 | -.74622962 |
| 3 | 3s | 3.811117 | -.32889173 |
| 4 | 4s | 14.995767 | .02204584 |
| 5 | 3s | 22.593329 | .01088027 |
| 6 | 2s | 2.506430 | -.05461814 |
| 7 | 5s | 23.909360 | .00377795 |
| 8 | 5s | 1.598993 | -.00057043 |
| 9 | 2s | 35.168351 | .00106999 |
| ORB.ENERGY,a.u. | -3.594900 | ||
| NORM | 1.000000 | < R > | .690729 | < R2 > | .571879 | < 1/R > | 2.106806 | < 1/R**2 > | 18.366423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.601774 | 1.01578639 |
| 2 | 2s | 17.845908 | -.02479262 |
| 3 | 3s | 7.501413 | .02083241 |
| 4 | 4s | 18.439110 | -.00522813 |
| 5 | 3s | 13.249676 | .00742002 |
| 6 | 2s | 33.004058 | .00090583 |
| 7 | 5s | 9.404525 | -.00879717 |
| 8 | 4s | 3.840192 | .00012930 |
| 9 | 5s | 58.941198 | .00000318 |
| ORB.ENERGY,a.u. | -48.182000 |
| NORM | 1.000000 | < R > | .130596 | < R2 > | .022957 | < 1/R > | 11.597868 | < 1/R**2 > | 271.844454 |
Total Energy= -199.49919721 a.u.
Kinetic Energy= 199.47107774 a.u.
Potential Energy= -398.97027495 a.u.
Virial Ratio = -2.00014097