(1s 2 2s 2 2p 1 5p 1 ) 1 D O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 1.497212 | .21345945 |
| 2 | 3p | .926270 | -1.71180433 |
| 3 | 4p | .657349 | 5.93027052 |
| 4 | 5p | .647102 | -4.17584378 |
| 5 | 2p | 5.158801 | .01476466 |
| 6 | 5p | 1.547695 | .06269818 |
| 7 | 5p | .712020 | -1.07735872 |
| 8 | 4p | 6.223999 | .00463938 |
| ORB.ENERGY,a.u. | -.206660 | ||
| NORM | .999990 | < R > | 10.575406 | < R2 > | 125.633318 | < 1/R > | .126097 | < 1/R**2 > | .037181 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.577219 | .87957428 |
| 2 | 2p | 4.713351 | .13813650 |
| 3 | 2p | 11.381339 | .00290483 |
| 4 | 5p | .903584 | .15315505 |
| 5 | 4p | 1.419477 | -.01341117 |
| 6 | 5p | 6.364031 | .01062308 |
| 7 | 3p | .440172 | -.16960744 |
| 8 | 5p | 16.579743 | -.00053299 |
| 9 | 5p | .453756 | .02258971 |
| ORB.ENERGY,a.u. | -2.693800 | ||
| NORM | 1.000000 | < R > | .920474 | < R2 > | 1.272306 | < 1/R > | 1.419787 | < 1/R**2 > | 2.776964 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.288928 | .28791250 |
| 2 | 2s | 2.416872 | -.76622871 |
| 3 | 3s | 4.071339 | -.28676833 |
| 4 | 4s | 13.945211 | .00107436 |
| 5 | 5s | 8.262423 | -.02057233 |
| 6 | 5s | 2.815638 | .03199117 |
| 7 | 4s | 16.507814 | .00080213 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983495 | < R2 > | 1.139569 | < 1/R > | 1.460591 | < 1/R**2 > | 8.637642 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354987 | .73308143 |
| 2 | 1s | 10.722936 | .19848344 |
| 3 | 1s | 3.630278 | .00404294 |
| 4 | 2s | 7.716732 | .09858215 |
| 5 | 3s | 8.688356 | -.02314480 |
| 6 | 4s | 14.561732 | .00530175 |
| 7 | 5s | 28.469582 | .00014530 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197803 | < R2 > | .052612 | < 1/R > | 7.660115 | < 1/R**2 > | 118.799777 |
Total Energy= -71.30380896 a.u.
Kinetic Energy= 71.30134526 a.u.
Potential Energy= -142.60515422 a.u.
Virial Ratio = -2.00003455