(1s 2 2s 2 2p 5 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2.066775 | .61973628 |
| 2 | 2p | 3.761295 | .32077225 |
| 3 | 2p | 9.910734 | .01693802 |
| 4 | 3p | 1.483892 | .08510020 |
| 5 | 4p | 8.927565 | .01927655 |
| 6 | 4p | 1.862601 | .04300590 |
| 7 | 3p | 11.125656 | .00736624 |
| 8 | 5p | 28.380957 | -.00004768 |
| ORB.ENERGY,a.u. | -.577080 | ||
| NORM | 1.000000 | < R > | 1.084785 | < R2 > | 1.543512 | < 1/R > | 1.271674 | < 1/R**2 > | 2.394764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.488060 | .29202395 |
| 2 | 2s | 3.272094 | -.80988884 |
| 3 | 3s | 2.380385 | -.29023726 |
| 4 | 4s | 14.965189 | .00231952 |
| 5 | 3s | 8.266236 | .02445699 |
| 6 | 5s | 5.514265 | .01814918 |
| 7 | 4s | 3.491572 | -.04395142 |
| 8 | 3s | 1.685045 | -.01909712 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | 1.001094 | < R2 > | 1.216566 | < 1/R > | 1.449751 | < 1/R**2 > | 8.697085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234440 | .87335590 |
| 2 | 1s | 12.228977 | .12142059 |
| 3 | 1s | 10.321163 | .00074486 |
| 4 | 2s | 6.041081 | .01830211 |
| 5 | 3s | 8.508029 | -.00737951 |
| 6 | 4s | 16.905303 | .00315512 |
| 7 | 5s | 55.233056 | -.00003260 |
| 8 | 5s | 4.200273 | .00065788 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175747 | < R2 > | .041612 | < 1/R > | 8.630362 | < 1/R**2 > | 150.834222 |
Total Energy= -99.40934876 a.u.
Kinetic Energy= 99.40935133 a.u.
Potential Energy= -198.81870009 a.u.
Virial Ratio = -1.99999997