(1s 2 2s 2 2p 1 5p 1 ) 1 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 4.921657 | .28488881 |
| 2 | 3p | 2.363075 | -3.15719712 |
| 3 | 4p | 2.069433 | 8.93415844 |
| 4 | 5p | 2.066403 | -6.60551331 |
| 5 | 2p | 14.343276 | .00333834 |
| 6 | 5p | 7.477120 | .02877431 |
| 7 | 5p | 3.825975 | -.18540302 |
| 8 | 4p | 16.566273 | .00081260 |
| ORB.ENERGY,a.u. | -2.117900 | ||
| NORM | .999998 | < R > | 3.441843 | < R2 > | 13.326834 | < 1/R > | .394443 | < 1/R**2 > | .394935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.318989 | 1.15756453 |
| 2 | 3p | 1.499997 | -.56662567 |
| 3 | 3p | 8.733927 | -.15722117 |
| 4 | 4p | 2.361257 | .24002620 |
| 5 | 5p | 2.569966 | .23389738 |
| 6 | 5p | 13.750039 | .01254418 |
| 7 | 4p | 27.401638 | -.00171607 |
| 8 | 5p | 1.662798 | .10704052 |
| 9 | 3p | 36.888016 | -.00022488 |
| ORB.ENERGY,a.u. | -17.205000 | ||
| NORM | 1.000000 | < R > | .403071 | < R2 > | .236335 | < 1/R > | 3.213660 | < 1/R**2 > | 13.976884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.938663 | .37329288 |
| 2 | 2s | 5.673065 | -.80855599 |
| 3 | 3s | 8.194748 | -.28215165 |
| 4 | 4s | 28.225216 | .00137210 |
| 5 | 5s | 15.835794 | -.01076810 |
| 6 | 5s | 6.225764 | .01630983 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456558 | < R2 > | .243898 | < 1/R > | 3.211804 | < 1/R**2 > | 41.724597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.162626 | .93047893 |
| 2 | 1s | 21.824677 | .06932576 |
| 3 | 2s | 12.840002 | .01910075 |
| 4 | 3s | 15.908432 | -.01659202 |
| 5 | 4s | 73.521354 | -.00006819 |
| 6 | 5s | 34.375479 | .00075513 |
| 7 | 4s | 5.296830 | .00002468 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102976 | < R2 > | .014206 | < 1/R > | 14.647520 | < 1/R**2 > | 431.975268 |
Total Energy= -278.22398230 a.u.
Kinetic Energy= 278.21223240 a.u.
Potential Energy= -556.43621470 a.u.
Virial Ratio = -2.00004223