(1s 1 3p 1 ) 1 P Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 6.614698 | .94895028 |
| 2 | 3p | 5.158737 | -1.65716324 |
| 3 | 2p | 3.573498 | .08024125 |
| 4 | 4p | 8.737289 | .08146484 |
| 5 | 5p | 17.225848 | .00613217 |
| 6 | 4p | 41.378533 | -.00103090 |
| 7 | 5p | 54.973150 | .00031581 |
| 8 | 5p | 3.536162 | -.00171393 |
| 9 | 3p | 10.745550 | .00486482 |
| 10 | 3p | 90.888902 | -.00001128 |
| ORB.ENERGY,a.u. | -14.769000 | ||
| NORM | 1.000000 | < R > | .783098 | < R2 > | .706571 | < 1/R > | 1.774672 | < 1/R**2 > | 6.303609 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.771160 | .88942057 |
| 2 | 1s | 19.407808 | .10538749 |
| 3 | 2s | 17.348362 | .01066377 |
| 4 | 3s | 18.030731 | -.00508038 |
| 5 | 4s | 57.249889 | .00000978 |
| 6 | 5s | 8.883875 | .00015882 |
| ORB.ENERGY,a.u. | -143.210000 |
| NORM | 1.000000 | < R > | .088235 | < R2 > | .010382 | < 1/R > | 17.000838 | < 1/R**2 > | 578.063127 |
Total Energy= -158.78714924 a.u.
Kinetic Energy= 158.68682529 a.u.
Potential Energy= -317.47397453 a.u.
Virial Ratio = -2.00063221