(1s 2 2s 2 2p 4 5p 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 4.339509 | .21022068 |
| 2 | 3p | 1.892762 | -2.19355531 |
| 3 | 4p | 1.734848 | 4.42049281 |
| 4 | 5p | 1.488078 | -2.92802910 |
| 5 | 2p | 8.903241 | .04361834 |
| 6 | 5p | 14.011206 | .00298825 |
| 7 | 4p | 33.588935 | -.00012383 |
| 8 | 2p | 1.537666 | -.05472834 |
| 9 | 4p | .619848 | .00076662 |
| ORB.ENERGY,a.u. | -1.124300 | ||
| NORM | .999999 | < R > | 4.547065 | < R2 > | 23.243110 | < 1/R > | .316669 | < 1/R**2 > | .373377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.144907 | 1.17327163 |
| 2 | 3p | 5.982576 | -.24308913 |
| 3 | 2p | 11.552300 | .06677727 |
| 4 | 4p | 13.527217 | .01229755 |
| 5 | 5p | 35.529058 | -.00014585 |
| 6 | 5p | 1.311199 | .00175020 |
| 7 | 4p | 1.344749 | -.00147486 |
| ORB.ENERGY,a.u. | -11.000000 | ||
| NORM | 1.000000 | < R > | .440989 | < R2 > | .238647 | < 1/R > | 2.912829 | < 1/R**2 > | 11.693871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.020345 | .38720900 |
| 2 | 2s | 6.249305 | -.85655153 |
| 3 | 3s | 5.528917 | -.30535686 |
| 4 | 4s | 16.902534 | .00871859 |
| 5 | 3s | 19.406440 | .00627803 |
| 6 | 5s | 32.164392 | .00067869 |
| 7 | 5s | 6.368361 | .01576876 |
| 8 | 4s | 3.313135 | .00030812 |
| 9 | 2s | 85.683433 | .00000591 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489556 | < R2 > | .282430 | < 1/R > | 2.983682 | < 1/R**2 > | 36.412100 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210532 | .92279678 |
| 2 | 1s | 20.928422 | .07367640 |
| 3 | 2s | 8.774025 | .02038326 |
| 4 | 3s | 10.776783 | -.02032094 |
| 5 | 4s | 13.356227 | .00940937 |
| 6 | 5s | 35.792707 | .00084866 |
| 7 | 4s | 85.157892 | -.00003797 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103540 | < R2 > | .014397 | < 1/R > | 14.596656 | < 1/R**2 > | 429.653520 |
Total Energy= -317.80050420 a.u.
Kinetic Energy= 317.81170501 a.u.
Potential Energy= -635.61220921 a.u.
Virial Ratio = -1.99996476