(1s 2 2s 2 2p 4 3p 1 ) 2 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3.571957 | .26074437 |
| 2 | 3p | 1.568087 | -.82012768 |
| 3 | 4p | 2.174977 | -.24127127 |
| 4 | 2p | 7.085499 | .07141650 |
| 5 | 5p | 10.242895 | .00466275 |
| 6 | 5p | 26.829814 | -.00045339 |
| 7 | 4p | 40.207052 | -.00008910 |
| 8 | 5p | 1.432274 | .00620307 |
| ORB.ENERGY,a.u. | -1.234800 | ||
| NORM | 1.000000 | < R > | 2.247248 | < R2 > | 5.746338 | < 1/R > | .578797 | < 1/R**2 > | .710561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.667324 | 1.25118205 |
| 2 | 3p | 4.345387 | -.33151859 |
| 3 | 2p | 9.022712 | .07581980 |
| 4 | 4p | 10.353736 | .01779168 |
| 5 | 5p | 28.878020 | -.00013559 |
| 6 | 5p | 1.986625 | -.00219556 |
| ORB.ENERGY,a.u. | -4.524600 | ||
| NORM | 1.000000 | < R > | .603600 | < R2 > | .450907 | < 1/R > | 2.150820 | < 1/R**2 > | 6.456982 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.829168 | .34883073 |
| 2 | 2s | 4.729366 | -.83257388 |
| 3 | 3s | 4.088000 | -.29509585 |
| 4 | 4s | 14.737449 | .01023658 |
| 5 | 3s | 16.536216 | .00485204 |
| 6 | 5s | 29.008970 | .00051118 |
| 7 | 5s | 3.345420 | -.00332654 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .650455 | < R2 > | .501587 | < 1/R > | 2.233640 | < 1/R**2 > | 20.473843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247191 | .91808300 |
| 2 | 1s | 16.943603 | .07952976 |
| 3 | 2s | 6.730665 | .01837897 |
| 4 | 3s | 8.400289 | -.01835142 |
| 5 | 4s | 10.494765 | .00943057 |
| 6 | 5s | 28.602891 | .00100664 |
| 7 | 4s | 64.693098 | -.00004764 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130371 | < R2 > | .022856 | < 1/R > | 11.609772 | < 1/R**2 > | 272.267005 |
Total Energy= -193.22398920 a.u.
Kinetic Energy= 193.21740487 a.u.
Potential Energy= -386.44139407 a.u.
Virial Ratio = -2.00003408