(1s 2 2s 2 5p 1 ) 2 P O 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 1.878027 | .32025235 |
| 2 | 3p | 1.074076 | -2.33268967 |
| 3 | 4p | .860715 | 6.50053225 |
| 4 | 5p | .841644 | -5.15819658 |
| 5 | 2p | 4.147236 | .06157722 |
| 6 | 5p | 9.833403 | .00119152 |
| 7 | 3p | 6.560683 | -.00727324 |
| ORB.ENERGY,a.u. | -.349850 | ||
| NORM | .999996 | < R > | 8.342635 | < R2 > | 78.313146 | < 1/R > | .174809 | < 1/R**2 > | .113855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.969783 | .32440497 |
| 2 | 2s | 2.894665 | -.75107657 |
| 3 | 3s | 3.973629 | -.29327561 |
| 4 | 4s | 10.576939 | .01207306 |
| 5 | 5s | 3.621974 | -.04285034 |
| 6 | 3s | 11.222360 | .00641705 |
| 7 | 5s | 44.424369 | -.00004178 |
| ORB.ENERGY,a.u. | -3.907500 | ||
| NORM | 1.000000 | < R > | .937142 | < R2 > | 1.029035 | < 1/R > | 1.536299 | < 1/R**2 > | 9.507508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.350625 | .73102486 |
| 2 | 1s | 10.636064 | .20426139 |
| 3 | 2s | 7.652108 | .09871173 |
| 4 | 3s | 8.304558 | -.02365581 |
| 5 | 4s | 14.838308 | .00468734 |
| 6 | 5s | 7.528424 | .00020287 |
| 7 | 3s | 33.148340 | -.00004536 |
| ORB.ENERGY,a.u. | -24.238000 |
| NORM | 1.000000 | < R > | .197222 | < R2 > | .052231 | < 1/R > | 7.674105 | < 1/R**2 > | 119.131470 |
Total Energy= -68.60752437 a.u.
Kinetic Energy= 68.60752392 a.u.
Potential Energy= -137.21504829 a.u.
Virial Ratio = -2.00000001