(1s 2 2s 1 5p 1 ) 1 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 1.957932 | 5.51041114 |
| 2 | 3p | 3.232209 | -6.49274033 |
| 3 | 4p | 2.510998 | 7.55067847 |
| 4 | 5p | 2.570536 | -7.91277645 |
| 5 | 2p | 11.275469 | .02017014 |
| 6 | 5p | 16.614241 | .00042762 |
| 7 | 4p | 33.047724 | -.00030451 |
| 8 | 5p | 1.248802 | -.00148478 |
| 9 | 5p | 106.360966 | -.00000625 |
| ORB.ENERGY,a.u. | -3.448800 | ||
| NORM | 1.000002 | < R > | 2.753644 | < R2 > | 8.537223 | < 1/R > | .530915 | < 1/R**2 > | .969078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.082767 | .42939183 |
| 2 | 2s | 6.929728 | -.81274554 |
| 3 | 3s | 8.395879 | -.30282897 |
| 4 | 5s | 13.881889 | -.02059696 |
| 5 | 4s | 27.373465 | .00693763 |
| 6 | 5s | 35.418159 | -.00182385 |
| 7 | 3s | 60.230895 | .00007217 |
| 8 | 5s | 2.133006 | .00150520 |
| 9 | 4s | 1.813214 | -.00148447 |
| ORB.ENERGY,a.u. | -25.480000 | ||
| NORM | 1.000000 | < R > | .407375 | < R2 > | .193540 | < 1/R > | 3.624755 | < 1/R**2 > | 52.930514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.408820 | .93866576 |
| 2 | 1s | 24.262737 | .04887767 |
| 3 | 2s | 18.687491 | .01662796 |
| 4 | 3s | 11.383731 | .00150603 |
| 5 | 4s | 65.189336 | -.00042006 |
| 6 | 5s | 87.437081 | .00015332 |
| 7 | 5s | 7.305924 | .00008482 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096131 | < R2 > | .012366 | < 1/R > | 15.673509 | < 1/R**2 > | 494.081456 |
Total Energy= -275.44631963 a.u.
Kinetic Energy= 275.43781743 a.u.
Potential Energy= -550.88413706 a.u.
Virial Ratio = -2.00003087