(1s 2 2s 2 2p 3 3s 1 ) 5 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 13.515066 | .19249157 |
| 2 | 2s | 5.218030 | -.93620184 |
| 3 | 3s | 3.824001 | 1.47160979 |
| 4 | 4s | 12.193230 | -.03103976 |
| 5 | 5s | 21.053924 | -.00358656 |
| 6 | 2s | 50.429656 | .00002693 |
| ORB.ENERGY,a.u. | -7.148000 | ||
| NORM | 1.000000 | < R > | 1.061735 | < R2 > | 1.281076 | < 1/R > | 1.361629 | < 1/R**2 > | 11.372377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.745796 | 1.27713483 |
| 2 | 3p | 8.675270 | -.34394268 |
| 3 | 4p | 10.861565 | .06391836 |
| 4 | 5p | 6.169824 | .00781159 |
| 5 | 4p | 28.260053 | -.00158483 |
| 6 | 3p | 35.905263 | -.00024960 |
| 7 | 4p | 6.515429 | -.00391548 |
| ORB.ENERGY,a.u. | -18.451000 | ||
| NORM | 1.000000 | < R > | .362543 | < R2 > | .160045 | < 1/R > | 3.509203 | < 1/R**2 > | 16.781861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.147265 | .42796827 |
| 2 | 2s | 7.498842 | -.88443054 |
| 3 | 3s | 6.919070 | -.29950815 |
| 4 | 4s | 28.272163 | .00256214 |
| 5 | 4s | 3.329501 | -.00181514 |
| 6 | 3s | 14.185084 | .02565212 |
| 7 | 5s | 5.221116 | -.01185649 |
| 8 | 3s | 33.957043 | .00018394 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .415667 | < R2 > | .203538 | < 1/R > | 3.533832 | < 1/R**2 > | 50.912643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.182758 | .93958049 |
| 2 | 1s | 25.087280 | .05769493 |
| 3 | 2s | 14.303297 | .01912098 |
| 4 | 3s | 19.921630 | -.01452908 |
| 5 | 4s | 29.949827 | .00233961 |
| 6 | 5s | 51.539120 | .00021085 |
| 7 | 5s | 11.024591 | .00016127 |
| 8 | 4s | 4.288340 | .00069565 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090882 | < R2 > | .011076 | < 1/R > | 16.607112 | < 1/R**2 > | 555.426560 |
Total Energy= -407.73780021 a.u.
Kinetic Energy= 407.79493043 a.u.
Potential Energy= -815.53273063 a.u.
Virial Ratio = -1.99985990