(1s 1 3p 1 ) 3 P Cl 15+
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 | 6.478114 | .97464605 |
| 2 | 3p | 5.298477 | -1.69879819 |
| 3 | 2p | 7.639995 | .06355507 |
| 4 | 4p | 7.883762 | .11545343 |
| 5 | 5p | 14.354898 | .00897086 |
| 6 | 4p | 33.175183 | -.00064647 |
| 7 | 5p | 3.600835 | .01121038 |
| 8 | 5p | 48.005366 | .00016124 |
| 9 | 4p | 3.251167 | -.01416171 |
| ORB.ENERGY,a.u. | -14.907000 | ||
| NORM | 1.000000 | < R > | .775381 | < R2 > | .692758 | < 1/R > | 1.794551 | < 1/R**2 > | 6.490131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.769318 | .88923344 |
| 2 | 1s | 19.315065 | .10588918 |
| 3 | 2s | 19.529327 | .00692570 |
| 4 | 3s | 11.418182 | -.00658469 |
| 5 | 4s | 18.116791 | .00238385 |
| 6 | 5s | 14.536146 | .00338464 |
| ORB.ENERGY,a.u. | -143.350000 |
| NORM | 1.000000 | < R > | .088305 | < R2 > | .010399 | < 1/R > | 16.990025 | < 1/R**2 > | 577.446052 |
Total Energy= -158.78845437 a.u.
Kinetic Energy= 158.82320411 a.u.
Potential Energy= -317.61165848 a.u.
Virial Ratio = -1.99978120