(1s 1 5p 1 ) 3 P Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 2.479512 | 5.67263187 |
| 2 | 3p | 3.976527 | -6.80554570 |
| 3 | 4p | 2.870763 | 9.70600187 |
| 4 | 5p | 3.078668 | -10.03594535 |
| 5 | 5p | 8.198384 | .04178310 |
| 6 | 4p | 19.191552 | -.00426653 |
| 7 | 5p | 44.345652 | -.00037361 |
| 8 | 4p | .834619 | -.01835043 |
| 9 | 4p | 68.720861 | -.00006983 |
| 10 | 5p | .952615 | .01634451 |
| ORB.ENERGY,a.u. | -5.704700 | ||
| NORM | 1.000000 | < R > | 2.271607 | < R2 > | 5.810081 | < 1/R > | .643380 | < 1/R**2 > | 1.393542 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.768294 | .88943838 |
| 2 | 1s | 19.404727 | .10542948 |
| 3 | 2s | 17.365074 | .01034957 |
| 4 | 3s | 17.329682 | -.00524322 |
| 5 | 4s | 19.957448 | .00018266 |
| 6 | 5s | 21.470487 | .00027310 |
| ORB.ENERGY,a.u. | -144.420000 |
| NORM | 1.000000 | < R > | .088248 | < R2 > | .010384 | < 1/R > | 16.998059 | < 1/R**2 > | 577.890984 |
Total Energy= -149.63425069 a.u.
Kinetic Energy= 149.64142015 a.u.
Potential Energy= -299.27567084 a.u.
Virial Ratio = -1.99995209