(1s 2 2s 1 5p 1 ) 3 P O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | .930496 | 2.45122887 |
| 2 | 3p | 1.276886 | -4.84423398 |
| 3 | 4p | 1.054331 | 6.93661934 |
| 4 | 5p | 1.022492 | -5.44764885 |
| 5 | 2p | 3.866207 | .08876359 |
| 6 | 5p | 4.428323 | .01426235 |
| 7 | 3p | 7.401881 | -.00690893 |
| ORB.ENERGY,a.u. | -.525130 | ||
| NORM | .999998 | < R > | 6.949799 | < R2 > | 54.360836 | < 1/R > | .210397 | < 1/R**2 > | .158044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.607710 | .37267368 |
| 2 | 2s | 3.155079 | -.86555934 |
| 3 | 3s | 3.719992 | -.24677367 |
| 4 | 4s | 9.151872 | .02268128 |
| 5 | 3s | 9.964505 | .01354756 |
| 6 | 5s | 6.020112 | -.00824869 |
| 7 | 4s | 2.565684 | -.00839079 |
| 8 | 5s | 19.442514 | .00071769 |
| 9 | 3s | 1.634337 | .00511422 |
| 10 | 2s | .817025 | -.00108183 |
| ORB.ENERGY,a.u. | -4.867900 | ||
| NORM | 1.000000 | < R > | .895691 | < R2 > | .935860 | < 1/R > | 1.618423 | < 1/R**2 > | 10.576062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.226424 | .87507136 |
| 2 | 1s | 10.987877 | .12806896 |
| 3 | 2s | 4.952862 | .02534920 |
| 4 | 3s | 6.275223 | -.03068536 |
| 5 | 4s | 16.030506 | .00360344 |
| 6 | 5s | 8.133083 | .00472481 |
| 7 | 5s | 21.426647 | -.00057840 |
| 8 | 3s | 18.961763 | -.00061039 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197165 | < R2 > | .052210 | < 1/R > | 7.676859 | < 1/R**2 > | 119.214270 |
Total Energy= -64.70199917 a.u.
Kinetic Energy= 64.70311871 a.u.
Potential Energy= -129.40511788 a.u.
Virial Ratio = -1.99998270