(1s 2 2s 1 3p 1 ) 3 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 5.549849 | 1.05806789 |
| 2 | 3p | 4.730455 | -1.66654593 |
| 3 | 2p | 13.215285 | .03050409 |
| 4 | 4p | 14.241707 | .01391704 |
| 5 | 3p | 43.915595 | .00002917 |
| 6 | 5p | 2.886969 | .00012411 |
| 7 | 4p | 38.545051 | -.00002576 |
| ORB.ENERGY,a.u. | -11.322000 | ||
| NORM | 1.000000 | < R > | .859117 | < R2 > | .850420 | < 1/R > | 1.621057 | < 1/R**2 > | 5.366006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.078580 | .42208170 |
| 2 | 2s | 7.199987 | -.81113061 |
| 3 | 3s | 9.225803 | -.29627533 |
| 4 | 5s | 15.396349 | -.01913347 |
| 5 | 4s | 30.273613 | .00418878 |
| 6 | 5s | 40.043825 | -.00086593 |
| 7 | 4s | 4.226263 | -.00025080 |
| 8 | 3s | 63.584283 | .00003983 |
| ORB.ENERGY,a.u. | -28.418000 | ||
| NORM | 1.000000 | < R > | .383340 | < R2 > | .171546 | < 1/R > | 3.855918 | < 1/R**2 > | 59.934015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.393238 | .93904859 |
| 2 | 1s | 25.843408 | .04812075 |
| 3 | 2s | 20.246467 | .01675133 |
| 4 | 3s | 12.660168 | .00148768 |
| 5 | 4s | 67.927167 | -.00041678 |
| 6 | 5s | 90.529304 | .00015180 |
| 7 | 5s | 23.056229 | .00022536 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090374 | < R2 > | .010928 | < 1/R > | 16.669116 | < 1/R**2 > | 558.712722 |
Total Energy= -319.38013535 a.u.
Kinetic Energy= 319.39921306 a.u.
Potential Energy= -638.77934841 a.u.
Virial Ratio = -1.99994027