(1s 2 2s 1 2p 1 ) 1 P O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 2.718755 | .85494385 |
| 2 | 2p | 4.760549 | .17596949 |
| 3 | 3p | 7.481261 | -.01710396 |
| 4 | 4p | 2.408704 | .01095811 |
| 5 | 5p | 10.125362 | .00405260 |
| 6 | 4p | 2.053499 | -.00274845 |
| ORB.ENERGY,a.u. | -3.398900 | ||
| NORM | 1.000000 | < R > | .856575 | < R2 > | .898102 | < 1/R > | 1.495643 | < 1/R**2 > | 3.075778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.707963 | .34388638 |
| 2 | 2s | 3.018977 | -.83815983 |
| 3 | 3s | 3.299331 | -.24433012 |
| 4 | 4s | 9.626157 | .02156709 |
| 5 | 5s | 3.182236 | -.02892418 |
| 6 | 5s | 35.451248 | .00035658 |
| 7 | 4s | 15.543790 | .00543521 |
| 8 | 4s | 52.234009 | .00008202 |
| ORB.ENERGY,a.u. | -3.843100 | ||
| NORM | 1.000000 | < R > | .956729 | < R2 > | 1.075324 | < 1/R > | 1.517989 | < 1/R**2 > | 9.489457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.179900 | .88107476 |
| 2 | 1s | 11.118163 | .12532542 |
| 3 | 2s | 5.096760 | .01576432 |
| 4 | 3s | 7.876043 | -.01878348 |
| 5 | 4s | 14.365291 | .00366680 |
| 6 | 5s | 4.191307 | .00280143 |
| 7 | 5s | 50.318314 | -.00004504 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .198448 | < R2 > | .053121 | < 1/R > | 7.648555 | < 1/R**2 > | 118.555525 |
Total Energy= -67.87043917 a.u.
Kinetic Energy= 67.57659180 a.u.
Potential Energy= -135.44703097 a.u.
Virial Ratio = -2.00434836