(1s 2 2s 2 2p 5 4p 1 ) 1 S S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 7.194971 | .14825576 |
| 2 | 3p | 1.556738 | 2.35616951 |
| 3 | 4p | 2.755093 | -1.82959859 |
| 4 | 5p | 4.929996 | -.19535172 |
| 5 | 3p | 10.397468 | -.01389635 |
| 6 | 5p | 1.443494 | -.12843807 |
| 7 | 4p | 32.889288 | -.00011335 |
| 8 | 3p | .719066 | .02923710 |
| 9 | 4p | .687088 | -.00987244 |
| ORB.ENERGY,a.u. | -1.753300 | ||
| NORM | 1.000000 | < R > | 2.877428 | < R2 > | 9.336284 | < 1/R > | .463451 | < 1/R**2 > | .526926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 15.344311 | -.00392837 |
| 2 | 2p | 5.594187 | 1.20891551 |
| 3 | 3p | 7.094183 | -.27561110 |
| 4 | 2p | 11.652570 | .05983208 |
| 5 | 4p | 10.112581 | .01754977 |
| 6 | 4p | 1.858056 | .02907470 |
| 7 | 5p | 3.085391 | -.01856747 |
| 8 | 5p | 20.599493 | .00250949 |
| ORB.ENERGY,a.u. | -11.433000 | ||
| NORM | 1.000000 | < R > | .419132 | < R2 > | .217672 | < 1/R > | 3.076392 | < 1/R**2 > | 13.087734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.894654 | .38140035 |
| 2 | 2s | 6.648087 | -.83735577 |
| 3 | 3s | 5.968645 | -.30351215 |
| 4 | 4s | 18.014928 | .00414668 |
| 5 | 3s | 18.895557 | .00706481 |
| 6 | 5s | 34.348307 | .00051197 |
| 7 | 5s | 5.244480 | -.00545260 |
| 8 | 4s | 4.037900 | .00218719 |
| 9 | 3s | 23.070560 | .00012277 |
| 10 | 2s | 81.045422 | .00000814 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462863 | < R2 > | .252901 | < 1/R > | 3.158081 | < 1/R**2 > | 40.897933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177969 | .92260506 |
| 2 | 1s | 22.237814 | .07365879 |
| 3 | 2s | 9.329431 | .02087202 |
| 4 | 3s | 11.612189 | -.02141051 |
| 5 | 4s | 14.451189 | .01065543 |
| 6 | 5s | 38.079829 | .00075800 |
| 7 | 4s | 89.029812 | -.00003774 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097018 | < R2 > | .012644 | < 1/R > | 15.579814 | < 1/R**2 > | 489.457053 |
Total Energy= -379.09880251 a.u.
Kinetic Energy= 379.03699637 a.u.
Potential Energy= -758.13579888 a.u.
Virial Ratio = -2.00016306