(1s 2 2s 2 2p 3 3d 1 ) 5 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 3d- electron | |
| 1 | 3d | 1.060001 | .92866885 |
| 2 | 5d | 5.347213 | -.00229510 |
| 3 | 3d | 3.310080 | .05115420 |
| 4 | 4d | 2.297581 | .04314373 |
| 5 | 5d | 1.062169 | .02472983 |
| 6 | 4d | 21.634368 | .00003123 |
| ORB.ENERGY,a.u. | -.524120 | ||
| NORM | 1.000000 | < R > | 3.214142 | < R2 > | 11.999320 | < 1/R > | .372965 | < 1/R**2 > | .174935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.996880 | .76635762 |
| 2 | 2p | 4.946637 | .24572416 |
| 3 | 2p | 10.094972 | .01540388 |
| 4 | 3p | 3.168624 | -.00315054 |
| 5 | 4p | 2.489319 | .01537207 |
| 6 | 5p | 12.615633 | .00243410 |
| 7 | 5p | 1.050696 | .00019055 |
| ORB.ENERGY,a.u. | -3.134300 | ||
| NORM | 1.000000 | < R > | .745658 | < R2 > | .688655 | < 1/R > | 1.740825 | < 1/R**2 > | 4.229539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.238170 | .33472854 |
| 2 | 2s | 3.856518 | -.82889289 |
| 3 | 3s | 3.265580 | -.28816098 |
| 4 | 4s | 12.929527 | .01572620 |
| 5 | 3s | 16.962160 | .00297974 |
| 6 | 5s | 25.300743 | .00064394 |
| 7 | 5s | 6.034470 | -.00837959 |
| 8 | 4s | 1.817997 | -.00075847 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .798372 | < R2 > | .756015 | < 1/R > | 1.811386 | < 1/R**2 > | 13.424765 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.071372 | .86633260 |
| 2 | 1s | 13.141802 | .14167838 |
| 3 | 1s | 2.099582 | -.00210272 |
| 4 | 2s | 7.962236 | -.00745692 |
| 5 | 3s | 6.340041 | .00600149 |
| 6 | 4s | 19.400368 | .00302968 |
| 7 | 5s | 57.527687 | -.00002097 |
| 8 | 5s | 3.986297 | .00081698 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157268 | < R2 > | .033271 | < 1/R > | 9.630965 | < 1/R**2 > | 187.573511 |
Total Energy= -124.62220300 a.u.
Kinetic Energy= 124.62837743 a.u.
Potential Energy= -249.25058044 a.u.
Virial Ratio = -1.99995046