(1s 2 2s 2 2p 4 ) 1 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 6.565355 | 1.31607486 |
| 2 | 3p | 8.517132 | -.38018537 |
| 3 | 4p | 10.190089 | .05473345 |
| 4 | 5p | 6.501328 | .01529557 |
| 5 | 5p | 38.984433 | -.00019714 |
| 6 | 3p | 20.162160 | -.00270209 |
| ORB.ENERGY,a.u. | -15.992000 | ||
| NORM | 1.000000 | < R > | .376175 | < R2 > | .173243 | < 1/R > | 3.405146 | < 1/R**2 > | 15.925434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.435810 | .40836724 |
| 2 | 2s | 7.230876 | -.88319268 |
| 3 | 3s | 6.588937 | -.28517669 |
| 4 | 4s | 28.847387 | .00181363 |
| 5 | 3s | 15.841569 | .01386380 |
| 6 | 5s | 7.544320 | .00983603 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .420335 | < R2 > | .207780 | < 1/R > | 3.485451 | < 1/R**2 > | 49.594313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.168321 | .94287583 |
| 2 | 1s | 25.360578 | .05527711 |
| 3 | 2s | 14.024863 | .01873519 |
| 4 | 3s | 20.459812 | -.01474444 |
| 5 | 4s | 30.857438 | .00235424 |
| 6 | 5s | 53.340822 | .00013583 |
| 7 | 5s | 11.926120 | .00063222 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .091023 | < R2 > | .011118 | < 1/R > | 16.591006 | < 1/R**2 > | 554.600956 |
Total Energy= -417.33528264 a.u.
Kinetic Energy= 416.64893528 a.u.
Potential Energy= -833.98421792 a.u.
Virial Ratio = -2.00164730