(1s 2 2s 2 4p 1 ) 2 P C +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 1.443749 | .31828825 |
| 2 | 3p | .585659 | -2.03238916 |
| 3 | 4p | .552168 | 2.19529723 |
| 4 | 5p | 2.930390 | -.03046777 |
| 5 | 2p | 4.097095 | .02151606 |
| 6 | 5p | .699224 | .25430656 |
| 7 | 4p | 10.084403 | -.00087120 |
| 8 | 5p | 31.278053 | -.00002414 |
| ORB.ENERGY,a.u. | -.148770 | ||
| NORM | .999999 | < R > | 9.644609 | < R2 > | 105.288853 | < 1/R > | .147619 | < 1/R**2 > | .067490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.430560 | .26971856 |
| 2 | 2s | 1.842151 | -.73613577 |
| 3 | 3s | 2.987080 | -.28054988 |
| 4 | 4s | 7.953920 | .01281126 |
| 5 | 5s | 2.734361 | -.04383735 |
| 6 | 3s | 8.365435 | .00667378 |
| 7 | 5s | 35.671726 | -.00003124 |
| ORB.ENERGY,a.u. | -1.524200 | ||
| NORM | 1.000000 | < R > | 1.375261 | < R2 > | 2.226219 | < 1/R > | 1.031640 | < 1/R**2 > | 4.262241 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203123 | .71560337 |
| 2 | 1s | 8.163259 | .23025369 |
| 3 | 2s | 6.409591 | .08086873 |
| 4 | 3s | 6.850329 | -.01389807 |
| 5 | 4s | 11.000203 | .00539961 |
| 6 | 5s | 7.385271 | -.00181253 |
| 7 | 3s | 22.766944 | -.00008679 |
| ORB.ENERGY,a.u. | -12.296000 |
| NORM | 1.000000 | < R > | .267448 | < R2 > | .096283 | < 1/R > | 5.676710 | < 1/R**2 > | 65.444225 |
Total Energy= -36.55726130 a.u.
Kinetic Energy= 36.55726125 a.u.
Potential Energy= -73.11452254 a.u.
Virial Ratio = -2.00000000