(1s 2 2s 2 2p 1 4d 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | .821629 | 1.52387137 |
| 2 | 4d | .734857 | -2.02908918 |
| 3 | 3d | 3.316228 | .01170560 |
| 4 | 5d | 10.904325 | -.00041026 |
| 5 | 5d | .594989 | .03806920 |
| 6 | 4d | 7.840070 | .00068824 |
| 7 | 5d | .531112 | -.01484114 |
| ORB.ENERGY,a.u. | -.280280 | ||
| NORM | 1.000002 | < R > | 6.995240 | < R2 > | 56.078299 | < 1/R > | .189671 | < 1/R**2 > | .059021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.622009 | .86443154 |
| 2 | 2p | 4.394357 | .13545808 |
| 3 | 2p | 9.374284 | .00777733 |
| 4 | 3p | .559774 | .00022573 |
| 5 | 4p | 2.520004 | .02246248 |
| 6 | 4p | 13.360953 | -.00070136 |
| ORB.ENERGY,a.u. | -2.602200 | ||
| NORM | 1.000000 | < R > | .906944 | < R2 > | 1.006526 | < 1/R > | 1.413310 | < 1/R**2 > | 2.753704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.288469 | .28788680 |
| 2 | 2s | 2.417418 | -.76615894 |
| 3 | 3s | 4.073009 | -.28637012 |
| 4 | 4s | 13.621382 | .00102961 |
| 5 | 5s | 8.268101 | -.02061237 |
| 6 | 5s | 2.826427 | .03102737 |
| 7 | 4s | 16.499868 | .00088233 |
| 8 | 4s | .687537 | .00006356 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983851 | < R2 > | 1.140645 | < 1/R > | 1.460260 | < 1/R**2 > | 8.634525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355056 | .73312818 |
| 2 | 1s | 10.723564 | .19847997 |
| 3 | 1s | 3.598667 | .00395453 |
| 4 | 2s | 7.717275 | .09865703 |
| 5 | 3s | 8.681697 | -.02316668 |
| 6 | 4s | 14.551989 | .00527886 |
| 7 | 5s | 28.257036 | .00014992 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197793 | < R2 > | .052605 | < 1/R > | 7.660376 | < 1/R**2 > | 118.806097 |
Total Energy= -71.38526743 a.u.
Kinetic Energy= 71.37498254 a.u.
Potential Energy= -142.76024998 a.u.
Virial Ratio = -2.00014410