(1s 2 2s 2 2p 2 4p 1 ) 4 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 5.414165 | .17715063 |
| 2 | 3p | 1.194451 | -.48318051 |
| 3 | 5p | 1.758685 | 1.43738408 |
| 4 | 4p | 2.675527 | -.73537133 |
| 5 | 5p | 6.833482 | .03265544 |
| 6 | 4p | 16.679416 | -.00249446 |
| 7 | 5p | 40.849624 | -.00016950 |
| 8 | 4p | 61.465457 | -.00003007 |
| 9 | 5p | 1.416119 | .23953203 |
| ORB.ENERGY,a.u. | -1.284600 | ||
| NORM | 1.000001 | < R > | 3.366621 | < R2 > | 12.784997 | < 1/R > | .398519 | < 1/R**2 > | .389543 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.355766 | 1.09590073 |
| 2 | 3p | 5.153626 | -.13848627 |
| 3 | 2p | 10.145963 | .04245073 |
| 4 | 4p | 10.963764 | .01289645 |
| 5 | 5p | 2.964876 | -.02895482 |
| 6 | 5p | 27.232088 | -.00021099 |
| 7 | 4p | 1.496711 | .04568264 |
| 8 | 4p | .979565 | -.00125327 |
| ORB.ENERGY,a.u. | -7.834900 | ||
| NORM | 1.000000 | < R > | .543220 | < R2 > | .367387 | < 1/R > | 2.352549 | < 1/R**2 > | 7.564684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.762452 | .37616930 |
| 2 | 2s | 4.918105 | -.82961671 |
| 3 | 3s | 5.096535 | -.27016409 |
| 4 | 4s | 19.697649 | .00259646 |
| 5 | 3s | 11.598335 | .01758564 |
| 6 | 5s | 5.056959 | -.04284006 |
| 7 | 4s | 1.241777 | .00013066 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610755 | < R2 > | .438492 | < 1/R > | 2.382657 | < 1/R**2 > | 23.096524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.155675 | .91175211 |
| 2 | 1s | 17.177605 | .08816991 |
| 3 | 2s | 10.271212 | .01906830 |
| 4 | 3s | 13.087533 | -.01555740 |
| 5 | 5s | 28.489001 | .00121132 |
| 6 | 4s | 69.221425 | -.00003850 |
| 7 | 5s | 9.065792 | .00062265 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129933 | < R2 > | .022665 | < 1/R > | 11.633995 | < 1/R**2 > | 273.138468 |
Total Energy= -181.28888734 a.u.
Kinetic Energy= 181.28397803 a.u.
Potential Energy= -362.57286537 a.u.
Virial Ratio = -2.00002708