(1s 2 2s 2 2p 1 3s 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 6.949002 | .10068015 |
| 2 | 2s | 2.090434 | -.53519457 |
| 3 | 3s | 1.294795 | 1.22636726 |
| 4 | 4s | 5.430484 | -.03180218 |
| 5 | 5s | 9.206978 | -.00629158 |
| 6 | 5s | 1.161325 | .00355965 |
| ORB.ENERGY,a.u. | -.765910 | ||
| NORM | 1.000000 | < R > | 3.016463 | < R2 > | 10.215667 | < 1/R > | .433143 | < 1/R**2 > | .985230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.594329 | .87784921 |
| 2 | 2p | 4.554380 | .12907473 |
| 3 | 2p | 9.749056 | .00604996 |
| 4 | 3p | 1.532022 | -.00454108 |
| 5 | 4p | 2.467429 | .02064704 |
| 6 | 4p | 13.294862 | -.00077891 |
| ORB.ENERGY,a.u. | -2.404800 | ||
| NORM | 1.000000 | < R > | .913651 | < R2 > | 1.021052 | < 1/R > | 1.403535 | < 1/R**2 > | 2.718904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.247561 | .29190370 |
| 2 | 2s | 2.491127 | -.75525718 |
| 3 | 3s | 3.978262 | -.28663742 |
| 4 | 4s | 14.249230 | .00156438 |
| 5 | 5s | 8.228557 | -.02175496 |
| 6 | 5s | 2.521008 | .01342352 |
| 7 | 4s | 17.742074 | .00044798 |
| 8 | 4s | 1.399763 | .01181871 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .976506 | < R2 > | 1.119785 | < 1/R > | 1.468784 | < 1/R**2 > | 8.722969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.348516 | .73348635 |
| 2 | 1s | 10.725324 | .19877839 |
| 3 | 1s | 3.341237 | .00393110 |
| 4 | 2s | 7.707711 | .09882401 |
| 5 | 3s | 8.629324 | -.02327342 |
| 6 | 4s | 14.872323 | .00472690 |
| 7 | 5s | 1.866665 | -.00084806 |
| 8 | 3s | 34.166874 | -.00003734 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197841 | < R2 > | .052642 | < 1/R > | 7.659219 | < 1/R**2 > | 118.777461 |
Total Energy= -71.87307093 a.u.
Kinetic Energy= 71.86021407 a.u.
Potential Energy= -143.73328500 a.u.
Virial Ratio = -2.00017891