(1s 2 2s 2 2p 2 ) 1 S O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2.275569 | .81686840 |
| 2 | 2p | 4.152346 | .20142143 |
| 3 | 2p | 9.094350 | .00735032 |
| 4 | 3p | 2.873118 | -.02518682 |
| 5 | 4p | 2.164056 | .05572584 |
| 6 | 4p | 14.535019 | -.00061207 |
| ORB.ENERGY,a.u. | -1.751400 | ||
| NORM | 1.000000 | < R > | 1.021657 | < R2 > | 1.304376 | < 1/R > | 1.285537 | < 1/R**2 > | 2.338790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.399539 | .26815184 |
| 2 | 2s | 2.273910 | -.77379553 |
| 3 | 3s | 4.059771 | -.27003473 |
| 4 | 4s | 1.998941 | .03028245 |
| 5 | 5s | 8.392839 | -.02249857 |
| 6 | 4s | 16.226205 | .00119467 |
| 7 | 5s | 1.822401 | -.02374981 |
| 8 | 4s | 1.524989 | .01562108 |
| 9 | 2s | 10.327606 | .00126585 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | 1.030555 | < R2 > | 1.259927 | < 1/R > | 1.393312 | < 1/R**2 > | 7.898153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.341696 | .73571365 |
| 2 | 1s | 10.770658 | .19623597 |
| 3 | 1s | 3.174403 | .00492624 |
| 4 | 2s | 7.730363 | .09849193 |
| 5 | 3s | 8.837248 | -.02317525 |
| 6 | 4s | 14.925650 | .00489901 |
| 7 | 5s | 75.542523 | -.00000850 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .198164 | < R2 > | .052853 | < 1/R > | 7.651696 | < 1/R**2 > | 118.602277 |
Total Energy= -73.09447033 a.u.
Kinetic Energy= 72.84633500 a.u.
Potential Energy= -145.94080533 a.u.
Virial Ratio = -2.00340628