(1s 2 2s 1 3s 1 ) 1 S Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 6.135798 | .10638550 |
| 2 | 2s | 3.148773 | -.60922044 |
| 3 | 3s | 2.433750 | 1.57451689 |
| 4 | 4s | 4.344615 | -.18038563 |
| 5 | 5s | 6.686994 | -.02992112 |
| 6 | 4s | 16.353520 | .00223993 |
| 7 | 5s | 2.489360 | -.03987788 |
| 8 | 5s | 41.989906 | .00004578 |
| 9 | 2s | 60.358421 | -.00000443 |
| ORB.ENERGY,a.u. | -3.120200 | ||
| NORM | 1.000000 | < R > | 1.730265 | < R2 > | 3.262379 | < 1/R > | .651983 | < 1/R**2 > | .912199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.206438 | .36643156 |
| 2 | 2s | 3.903779 | -.47251327 |
| 3 | 3s | 5.185731 | -.69055442 |
| 4 | 4s | 2.754477 | .30400372 |
| 5 | 5s | 10.898324 | -.01760469 |
| 6 | 4s | 38.719034 | -.00066085 |
| 7 | 3s | 22.510280 | .00077410 |
| 8 | 5s | 1.715070 | .02565281 |
| 9 | 5s | 52.243480 | .00023005 |
| 10 | 4s | 1.529446 | -.03034332 |
| ORB.ENERGY,a.u. | -8.128100 | ||
| NORM | 1.000000 | < R > | .655577 | < R2 > | .545446 | < 1/R > | 2.315485 | < 1/R**2 > | 21.550340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.167176 | .87759576 |
| 2 | 1s | 13.655180 | .12238798 |
| 3 | 2s | 7.353889 | .02614503 |
| 4 | 3s | 9.126311 | -.02630217 |
| 5 | 4s | 18.500548 | .00303936 |
| 6 | 5s | 11.904288 | .00102855 |
| 7 | 5s | 4.053279 | .00038873 |
| 8 | 5s | 60.677231 | -.00003689 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156195 | < R2 > | .032725 | < 1/R > | 9.673778 | < 1/R**2 > | 188.876260 |
Total Energy= -105.75961222 a.u.
Kinetic Energy= 105.74815372 a.u.
Potential Energy= -211.50776593 a.u.
Virial Ratio = -2.00010836