(1s 2 2s 2 2p 4 ) 1 D P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 5.565670 | 1.37720240 |
| 2 | 3p | 7.241032 | -.46676210 |
| 3 | 4p | 8.836651 | .07928703 |
| 4 | 5p | 5.407820 | .01545804 |
| 5 | 4p | 22.067797 | -.00210306 |
| 6 | 3p | 23.126457 | -.00121503 |
| 7 | 3p | 16.079670 | .00070174 |
| ORB.ENERGY,a.u. | -11.068000 | ||
| NORM | 1.000000 | < R > | .441927 | < R2 > | .239793 | < 1/R > | 2.908619 | < 1/R**2 > | 11.668687 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.000008 | .38852568 |
| 2 | 2s | 6.233550 | -.86535114 |
| 3 | 3s | 5.646798 | -.28349576 |
| 4 | 4s | 25.196392 | .00198087 |
| 5 | 3s | 14.204722 | .01448353 |
| 6 | 5s | 4.547566 | -.00059094 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .489158 | < R2 > | .281941 | < 1/R > | 2.986191 | < 1/R**2 > | 36.468980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.158078 | .93209313 |
| 2 | 1s | 21.936081 | .06652281 |
| 3 | 2s | 12.182635 | .01862275 |
| 4 | 3s | 17.925109 | -.01500447 |
| 5 | 4s | 27.676915 | .00286500 |
| 6 | 5s | 52.768481 | .00007924 |
| 7 | 5s | 10.273002 | .00072189 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103533 | < R2 > | .014394 | < 1/R > | 14.597355 | < 1/R**2 > | 429.685748 |
Total Energy= -316.68741257 a.u.
Kinetic Energy= 316.45432141 a.u.
Potential Energy= -633.14173398 a.u.
Virial Ratio = -2.00073657