(1s 2 2s 1 5s 1 ) 1 S O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 3.376008 | .06294519 |
| 2 | 2s | .861331 | -4.83182563 |
| 3 | 3s | 1.220294 | 8.28021546 |
| 4 | 4s | 1.043418 | -9.74805537 |
| 5 | 5s | 1.055151 | 8.00069808 |
| 6 | 5s | 1.651837 | -.62800780 |
| 7 | 1s | 7.798327 | .02092146 |
| 8 | 3s | 11.572906 | .00122338 |
| 9 | 4s | 24.407364 | -.00014873 |
| ORB.ENERGY,a.u. | -.549120 | ||
| NORM | 1.000002 | < R > | 6.830969 | < R2 > | 52.196516 | < 1/R > | .196517 | < 1/R**2 > | .221740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.722265 | .29867656 |
| 2 | 2s | 1.847676 | -.67042409 |
| 3 | 3s | 4.268859 | -.64290727 |
| 4 | 4s | 2.355345 | .37405094 |
| 5 | 5s | .907857 | .71388805 |
| 6 | 5s | 9.405537 | -.01276325 |
| 7 | 4s | .783554 | -.86465770 |
| 8 | 3s | 14.822717 | -.00029060 |
| 9 | 3s | .608045 | .16588211 |
| 10 | 4s | 36.250740 | -.00003984 |
| 11 | 5s | .297543 | -.00026873 |
| ORB.ENERGY,a.u. | -4.867200 | ||
| NORM | 1.000000 | < R > | .902639 | < R2 > | 1.067145 | < 1/R > | 1.636206 | < 1/R**2 > | 10.820847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.250247 | .87550188 |
| 2 | 1s | 11.244114 | .12129598 |
| 3 | 2s | 7.254464 | .02459017 |
| 4 | 3s | 8.429591 | -.02289634 |
| 5 | 4s | 15.389055 | .00488476 |
| 6 | 5s | 12.643747 | .00274179 |
| 7 | 5s | 68.475505 | -.00000562 |
| 8 | 4s | 3.529964 | .00067450 |
| 9 | 3s | .486622 | -.00112155 |
| 10 | 5s | .717620 | .00130184 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197146 | < R2 > | .052204 | < 1/R > | 7.677364 | < 1/R**2 > | 119.226219 |
Total Energy= -64.73130197 a.u.
Kinetic Energy= 64.72695920 a.u.
Potential Energy= -129.45826117 a.u.
Virial Ratio = -2.00006709