(1s 2 2s 2 3p 1 ) 2 P O 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 3p | 1.455396 | -1.30167699 |
| 2 | 2p | 2.080332 | .66312485 |
| 3 | 2p | 5.627188 | .05468400 |
| 4 | 4p | 6.585486 | .02047931 |
| 5 | 5p | 3.652077 | -.03594128 |
| ORB.ENERGY,a.u. | -1.043600 | ||
| NORM | 1.000000 | < R > | 2.655677 | < R2 > | 8.102278 | < 1/R > | .521151 | < 1/R**2 > | .587952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.583518 | .35123539 |
| 2 | 2s | 3.110672 | -.86602030 |
| 3 | 3s | 3.232996 | -.24604764 |
| 4 | 4s | 8.790271 | .02058963 |
| 5 | 3s | 9.907642 | .01678343 |
| 6 | 5s | 2.786256 | -.02077795 |
| 7 | 5s | 16.897484 | .00074099 |
| 8 | 5s | 2.203536 | .00503897 |
| 9 | 3s | 1.404722 | -.00231302 |
| 10 | 2s | 30.861534 | .00004238 |
| ORB.ENERGY,a.u. | -3.609900 | ||
| NORM | 1.000000 | < R > | .942814 | < R2 > | 1.042793 | < 1/R > | 1.527164 | < 1/R**2 > | 9.402399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.351944 | .73102956 |
| 2 | 1s | 10.644455 | .20374207 |
| 3 | 2s | 7.669139 | .09860446 |
| 4 | 3s | 8.499432 | -.02344709 |
| 5 | 4s | 14.824033 | .00625341 |
| 6 | 5s | 18.700270 | -.00066795 |
| 7 | 3s | 29.556556 | -.00002486 |
| 8 | 5s | 2.177188 | -.00006132 |
| ORB.ENERGY,a.u. | -23.873000 |
| NORM | 1.000000 | < R > | .197312 | < R2 > | .052288 | < 1/R > | 7.671823 | < 1/R**2 > | 119.076578 |
Total Energy= -69.30114988 a.u.
Kinetic Energy= 69.30115094 a.u.
Potential Energy= -138.60230082 a.u.
Virial Ratio = -1.99999998