(1s 2 2s 2 5p 1 ) 2 P Cl 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 2.003784 | 3.97759865 |
| 2 | 3p | 3.255948 | -5.53227190 |
| 3 | 4p | 2.663445 | 6.70737675 |
| 4 | 5p | 2.618508 | -6.32566768 |
| 5 | 2p | 9.616167 | .06864772 |
| 6 | 5p | 9.222251 | .02563076 |
| 7 | 4p | 11.638060 | .02160379 |
| 8 | 5p | 1.634729 | -.00306990 |
| 9 | 5p | 23.028193 | .00084238 |
| ORB.ENERGY,a.u. | -3.507300 | ||
| NORM | 1.000004 | < R > | 2.708249 | < R2 > | 8.255640 | < 1/R > | .539383 | < 1/R**2 > | 1.013478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.169353 | .40995907 |
| 2 | 2s | 7.032908 | -.81626312 |
| 3 | 3s | 9.081749 | -.28984212 |
| 4 | 5s | 16.781705 | -.01426433 |
| 5 | 4s | 33.617160 | .00220472 |
| 6 | 5s | 49.619753 | -.00033386 |
| 7 | 5s | 7.210219 | .00407291 |
| ORB.ENERGY,a.u. | -4.344400 | ||
| NORM | 1.000000 | < R > | .388490 | < R2 > | .176234 | < 1/R > | 3.790634 | < 1/R**2 > | 57.859810 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.140402 | .93888016 |
| 2 | 1s | 25.710777 | .05955960 |
| 3 | 2s | 17.733096 | .01968624 |
| 4 | 3s | 19.442864 | -.01673033 |
| 5 | 5s | 38.082320 | .00084643 |
| 6 | 4s | 83.884190 | -.00006254 |
| 7 | 5s | 17.546515 | -.00023462 |
| ORB.ENERGY,a.u. | -127.570000 |
| NORM | 1.000000 | < R > | .090361 | < R2 > | .010923 | < 1/R > | 16.669271 | < 1/R**2 > | 558.679297 |
Total Energy= -338.86074213 a.u.
Kinetic Energy= 338.86072332 a.u.
Potential Energy= -677.72146545 a.u.
Virial Ratio = -2.00000006