(1s 2 2s 2 2p 4 4p 1 ) 2 S P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 7.210230 | .18051459 |
| 2 | 3p | 1.536078 | 2.16147951 |
| 3 | 4p | 2.862948 | -1.59755342 |
| 4 | 5p | 5.185698 | -.17053564 |
| 5 | 3p | 14.373254 | -.00277411 |
| 6 | 5p | 1.418475 | -.21123532 |
| 7 | 4p | .997104 | .07901098 |
| 8 | 3p | .525045 | -.02122570 |
| 9 | 5p | 42.142771 | -.00002404 |
| 10 | 5p | .572203 | .00706274 |
| ORB.ENERGY,a.u. | -1.790000 | ||
| NORM | .999999 | < R > | 2.808643 | < R2 > | 8.918801 | < 1/R > | .499346 | < 1/R**2 > | .721515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.121631 | 1.18227281 |
| 2 | 3p | 5.937943 | -.25250992 |
| 3 | 2p | 11.676028 | .06561366 |
| 4 | 4p | 13.668376 | .01541901 |
| 5 | 5p | 1.987310 | .00086914 |
| 6 | 5p | 16.763860 | -.00109281 |
| 7 | 4p | 55.799995 | .00003416 |
| 8 | 4p | 4.315176 | -.00171273 |
| ORB.ENERGY,a.u. | -10.793000 | ||
| NORM | 1.000000 | < R > | .440995 | < R2 > | .238664 | < 1/R > | 2.912776 | < 1/R**2 > | 11.693237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.058143 | .38515003 |
| 2 | 2s | 6.252962 | -.84575521 |
| 3 | 3s | 5.699742 | -.29778991 |
| 4 | 4s | 16.682227 | .00747368 |
| 5 | 3s | 18.735544 | .00741875 |
| 6 | 5s | 31.774534 | .00054949 |
| 7 | 5s | 4.868059 | -.00506683 |
| 8 | 4s | 3.425424 | .00190315 |
| 9 | 2s | 66.155955 | .00001516 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489873 | < R2 > | .282833 | < 1/R > | 2.981794 | < 1/R**2 > | 36.370014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.209996 | .92308904 |
| 2 | 1s | 20.953484 | .07339534 |
| 3 | 2s | 8.808691 | .02035218 |
| 4 | 3s | 10.763535 | -.02033848 |
| 5 | 4s | 13.278578 | .00949903 |
| 6 | 5s | 36.022821 | .00080069 |
| 7 | 4s | 81.654603 | -.00003845 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014398 | < 1/R > | 14.596207 | < 1/R**2 > | 429.632904 |
Total Energy= -318.49046173 a.u.
Kinetic Energy= 318.47690721 a.u.
Potential Energy= -636.96736893 a.u.
Virial Ratio = -2.00004256