(1s 2 2s 2 2p 5 5p 1 ) 1 S S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | 3.530958 | .25525594 |
| 2 | 3p | 1.860482 | -2.40278117 |
| 3 | 4p | 1.631373 | 5.13435401 |
| 4 | 5p | 1.470933 | -3.62648950 |
| 5 | 2p | 9.866509 | .02947806 |
| 6 | 5p | 14.847669 | .00076860 |
| 7 | 5p | 1.501278 | .03970617 |
| 8 | 4p | 33.387326 | -.00009086 |
| ORB.ENERGY,a.u. | -1.089400 | ||
| NORM | 1.000005 | < R > | 4.692663 | < R2 > | 24.752329 | < 1/R > | .295356 | < 1/R**2 > | .270472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.490466 | 1.19933053 |
| 2 | 3p | 6.668820 | -.25821256 |
| 3 | 2p | 12.421879 | .05965948 |
| 4 | 4p | 14.543711 | .00981276 |
| 5 | 5p | 1.876469 | .05897802 |
| 6 | 4p | 1.393149 | -.05976228 |
| 7 | 5p | 39.986848 | -.00012835 |
| ORB.ENERGY,a.u. | -11.668000 | ||
| NORM | 1.000000 | < R > | .419721 | < R2 > | .218872 | < 1/R > | 3.073902 | < 1/R**2 > | 13.073200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.888771 | .38185129 |
| 2 | 2s | 6.652327 | -.83760891 |
| 3 | 3s | 5.968867 | -.30377375 |
| 4 | 4s | 18.137797 | .00454932 |
| 5 | 3s | 19.203471 | .00678993 |
| 6 | 5s | 34.666731 | .00051269 |
| 7 | 5s | 5.271885 | -.00402885 |
| 8 | 4s | 3.742740 | .00149801 |
| 9 | 3s | 2.624392 | -.00035090 |
| 10 | 2s | 85.569132 | .00000648 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462629 | < R2 > | .252622 | < 1/R > | 3.159660 | < 1/R**2 > | 40.935553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178339 | .92260204 |
| 2 | 1s | 22.236783 | .07365867 |
| 3 | 2s | 9.332637 | .02086203 |
| 4 | 3s | 11.617671 | -.02140075 |
| 5 | 4s | 14.461108 | .01063912 |
| 6 | 5s | 38.218176 | .00076412 |
| 7 | 4s | 88.964835 | -.00003616 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097015 | < R2 > | .012643 | < 1/R > | 15.580162 | < 1/R**2 > | 489.474094 |
Total Energy= -378.40447172 a.u.
Kinetic Energy= 378.37341740 a.u.
Potential Energy= -756.77788912 a.u.
Virial Ratio = -2.00008207