(1s 1 4p 1 ) 3 P Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 7.763617 | .45314479 |
| 2 | 3p | 3.914250 | -1.02364615 |
| 3 | 5p | 4.279899 | 1.80863968 |
| 4 | 4p | 5.972801 | -.55694651 |
| 5 | 5p | 11.587297 | .01271849 |
| 6 | 4p | 25.576005 | -.00128734 |
| 7 | 5p | 3.532936 | .05169834 |
| 8 | 5p | 25.718022 | -.00009471 |
| 9 | 3p | 37.171923 | -.00012288 |
| ORB.ENERGY,a.u. | -8.611300 | ||
| NORM | 1.000000 | < R > | 1.429760 | < R2 > | 2.318727 | < 1/R > | 1.006745 | < 1/R**2 > | 2.727395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.766649 | .88935655 |
| 2 | 1s | 19.435317 | .10525840 |
| 3 | 2s | 18.059925 | .00963366 |
| 4 | 3s | 16.016750 | -.00548973 |
| 5 | 4s | 20.171419 | .00094846 |
| 6 | 5s | 18.842789 | .00100521 |
| ORB.ENERGY,a.u. | -144.080000 |
| NORM | 1.000000 | < R > | .088262 | < R2 > | .010387 | < 1/R > | 16.996075 | < 1/R**2 > | 577.780312 |
Total Energy= -152.52781559 a.u.
Kinetic Energy= 152.54196687 a.u.
Potential Energy= -305.06978247 a.u.
Virial Ratio = -1.99990723