(1s 2 2s 2 2p 1 3d 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | .993336 | .98988582 |
| 2 | 3d | 3.171949 | .01318794 |
| 3 | 4d | 1.054694 | .00556357 |
| 4 | 5d | 10.710357 | -.00038387 |
| 5 | 3d | 4.617064 | .00254407 |
| 6 | 4d | 17.762448 | -.00004165 |
| ORB.ENERGY,a.u. | -.495100 | ||
| NORM | 1.000000 | < R > | 3.509575 | < R2 > | 14.114398 | < 1/R > | .334408 | < 1/R**2 > | .135974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.629647 | .87587397 |
| 2 | 2p | 4.468832 | .12862492 |
| 3 | 2p | 9.526268 | .00717486 |
| 4 | 3p | 1.562060 | -.00521057 |
| 5 | 4p | 2.403605 | .02174614 |
| 6 | 4p | 13.027050 | -.00075519 |
| ORB.ENERGY,a.u. | -2.411000 | ||
| NORM | 1.000000 | < R > | .903548 | < R2 > | .997897 | < 1/R > | 1.417287 | < 1/R**2 > | 2.766974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.295086 | .28715446 |
| 2 | 2s | 2.409525 | -.76580435 |
| 3 | 3s | 4.063260 | -.28547179 |
| 4 | 4s | 15.828269 | .00141421 |
| 5 | 5s | 8.251151 | -.02259496 |
| 6 | 5s | 2.875926 | .03232689 |
| 7 | 3s | 1.405118 | -.00063793 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .985343 | < R2 > | 1.144788 | < 1/R > | 1.458423 | < 1/R**2 > | 8.615192 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354932 | .73311751 |
| 2 | 1s | 10.723951 | .19847770 |
| 3 | 1s | 3.599290 | .00397004 |
| 4 | 2s | 7.717860 | .09865555 |
| 5 | 3s | 8.684108 | -.02316305 |
| 6 | 4s | 14.551682 | .00528065 |
| 7 | 5s | 28.271521 | .00014970 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197796 | < R2 > | .052607 | < 1/R > | 7.660302 | < 1/R**2 > | 118.804388 |
Total Energy= -71.61233747 a.u.
Kinetic Energy= 71.58980520 a.u.
Potential Energy= -143.20214267 a.u.
Virial Ratio = -2.00031474