(1s 2 2s 2 2p 4 ) 3 P Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 6.534369 | 1.33565516 |
| 2 | 3p | 8.483552 | -.40051717 |
| 3 | 4p | 10.399833 | .06403684 |
| 4 | 5p | 6.238104 | .00826567 |
| 5 | 4p | 27.059049 | -.00171297 |
| 6 | 3p | 31.925397 | -.00042043 |
| 7 | 4p | 7.496539 | -.00673067 |
| ORB.ENERGY,a.u. | -16.683000 | ||
| NORM | 1.000000 | < R > | .373932 | < R2 > | .170926 | < 1/R > | 3.419559 | < 1/R**2 > | 16.030732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.385508 | .41048715 |
| 2 | 2s | 7.129622 | -.92731903 |
| 3 | 3s | 6.547120 | -.22588743 |
| 4 | 4s | 28.809407 | .00182446 |
| 5 | 3s | 15.648530 | .01562948 |
| 6 | 5s | 9.872843 | -.00769606 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .420498 | < R2 > | .207942 | < 1/R > | 3.483929 | < 1/R**2 > | 49.553781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.168828 | .94329106 |
| 2 | 1s | 25.417463 | .05483928 |
| 3 | 2s | 14.151693 | .01865799 |
| 4 | 3s | 20.640331 | -.01465711 |
| 5 | 4s | 31.432181 | .00236327 |
| 6 | 5s | 54.932685 | .00009386 |
| 7 | 5s | 12.261204 | .00071471 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .091029 | < R2 > | .011120 | < 1/R > | 16.590340 | < 1/R**2 > | 554.566358 |
Total Energy= -417.33783350 a.u.
Kinetic Energy= 417.33783791 a.u.
Potential Energy= -834.67567141 a.u.
Virial Ratio = -1.99999999