(1s 2 2s 1 5s 1 ) 1 S Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.939523 | 1.20290674 |
| 2 | 2s | 2.350892 | -9.61394749 |
| 3 | 3s | 3.453177 | 10.35234417 |
| 4 | 4s | 2.732933 | -9.68286397 |
| 5 | 5s | 2.822511 | 9.27454295 |
| 6 | 5s | 6.708223 | -.01423602 |
| 7 | 1s | 21.060271 | .00483731 |
| 8 | 4s | 15.357001 | .00986896 |
| 9 | 5s | 21.230603 | -.00378928 |
| ORB.ENERGY,a.u. | -4.079700 | ||
| NORM | 1.000000 | < R > | 2.576668 | < R2 > | 7.431966 | < 1/R > | .531248 | < 1/R**2 > | 1.843608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.961051 | .35598830 |
| 2 | 2s | 4.531616 | -.85414164 |
| 3 | 3s | 10.246459 | -.57367300 |
| 4 | 4s | 5.814900 | .48613666 |
| 5 | 5s | 2.408364 | .77403549 |
| 6 | 5s | 26.623206 | -.00257742 |
| 7 | 4s | 2.082566 | -.85819908 |
| 8 | 4s | 42.966923 | -.00140761 |
| 9 | 3s | 1.524538 | .09284173 |
| 10 | 3s | 62.025184 | -.00042897 |
| 11 | 2s | 93.676441 | -.00004216 |
| ORB.ENERGY,a.u. | -29.217000 | ||
| NORM | 1.000000 | < R > | .385124 | < R2 > | .192352 | < 1/R > | 3.918245 | < 1/R**2 > | 61.935627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395369 | .93981285 |
| 2 | 1s | 25.972405 | .04744202 |
| 3 | 2s | 20.438565 | .01683981 |
| 4 | 3s | 11.750659 | .00153672 |
| 5 | 4s | 67.175122 | -.00043296 |
| 6 | 5s | 89.162740 | .00015946 |
| 7 | 5s | 6.870776 | .00255070 |
| 8 | 4s | 5.523763 | -.00260917 |
| 9 | 3s | 1.333595 | .00022010 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090333 | < R2 > | .010917 | < 1/R > | 16.674486 | < 1/R**2 > | 559.000401 |
Total Energy= -312.17907169 a.u.
Kinetic Energy= 312.16537757 a.u.
Potential Energy= -624.34444926 a.u.
Virial Ratio = -2.00004387