(1s 2 2s 2 2p 5 3s 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 13.665484 | .15991216 |
| 2 | 2s | 5.424673 | -.68151001 |
| 3 | 3s | 3.278916 | 1.28815692 |
| 4 | 4s | 12.075421 | -.01335132 |
| 5 | 5s | 6.579154 | -.04007278 |
| 6 | 4s | 3.205070 | -.00338749 |
| 7 | 5s | 19.946591 | -.00363151 |
| 8 | 4s | 73.305030 | -.00001410 |
| ORB.ENERGY,a.u. | -5.104900 | ||
| NORM | 1.000000 | < R > | 1.196947 | < R2 > | 1.623438 | < 1/R > | 1.171318 | < 1/R**2 > | 8.290726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.794856 | 1.20276819 |
| 2 | 3p | 6.747565 | -.27608056 |
| 3 | 2p | 12.904980 | .07106120 |
| 4 | 4p | 15.688591 | .00972824 |
| 5 | 5p | 4.670262 | .00133540 |
| 6 | 5p | 40.216264 | -.00013531 |
| ORB.ENERGY,a.u. | -13.781000 | ||
| NORM | 1.000000 | < R > | .388332 | < R2 > | .185506 | < 1/R > | 3.315290 | < 1/R**2 > | 15.176960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.983391 | .33839518 |
| 2 | 2s | 5.982214 | -.78511692 |
| 3 | 3s | 9.773487 | -.23048823 |
| 4 | 4s | 7.867092 | -.05714484 |
| 5 | 5s | 20.700755 | -.00684767 |
| 6 | 5s | 4.425046 | -.00506215 |
| 7 | 4s | 68.373775 | -.00003645 |
| 8 | 3s | 1.612378 | -.00011947 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430810 | < R2 > | .219178 | < 1/R > | 3.400414 | < 1/R**2 > | 47.401422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.177654 | .92788373 |
| 2 | 1s | 23.727123 | .06859325 |
| 3 | 2s | 9.730854 | .02042630 |
| 4 | 3s | 12.053239 | -.02162615 |
| 5 | 4s | 15.114648 | .01083087 |
| 6 | 5s | 40.761941 | .00063305 |
| 7 | 4s | 88.386516 | -.00004088 |
| 8 | 5s | 4.381452 | .00016244 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576141 | < 1/R**2 > | 553.828328 |
Total Energy= -437.08036552 a.u.
Kinetic Energy= 437.09526616 a.u.
Potential Energy= -874.17563168 a.u.
Virial Ratio = -1.99996591