(1s 2 2s 2 2p 4 3p 1 ) 4 S P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 2p | 4.666295 | .37929531 |
| 2 | 3p | 2.652404 | -.90286673 |
| 3 | 4p | 3.104535 | -.21498062 |
| 4 | 2p | 8.997819 | .09135351 |
| 5 | 5p | 13.780238 | .00400960 |
| 6 | 5p | 35.542605 | -.00038410 |
| 7 | 4p | 53.554618 | -.00007033 |
| 8 | 5p | 2.611568 | -.01342370 |
| ORB.ENERGY,a.u. | -3.397200 | ||
| NORM | 1.000000 | < R > | 1.429511 | < R2 > | 2.331601 | < 1/R > | .936516 | < 1/R**2 > | 1.870943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.126369 | 1.18619054 |
| 2 | 3p | 5.950488 | -.25536445 |
| 3 | 2p | 11.575502 | .06583998 |
| 4 | 4p | 13.509541 | .01160117 |
| 5 | 5p | 36.975287 | -.00014530 |
| 6 | 5p | 2.347035 | -.00027630 |
| ORB.ENERGY,a.u. | -10.360000 | ||
| NORM | 1.000000 | < R > | .441436 | < R2 > | .239168 | < 1/R > | 2.910314 | < 1/R**2 > | 11.675455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.087366 | .38295722 |
| 2 | 2s | 6.243564 | -.84282404 |
| 3 | 3s | 5.719661 | -.29641975 |
| 4 | 4s | 17.088186 | .00991652 |
| 5 | 3s | 21.418373 | .00543673 |
| 6 | 5s | 29.639901 | .00093197 |
| 7 | 5s | 5.239398 | -.00782116 |
| 8 | 2s | 58.372701 | .00003575 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .490990 | < R2 > | .284297 | < 1/R > | 2.975450 | < 1/R**2 > | 36.230108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208576 | .92317699 |
| 2 | 1s | 20.987241 | .07319600 |
| 3 | 2s | 9.112119 | .01976112 |
| 4 | 3s | 11.135960 | -.01941830 |
| 5 | 4s | 13.573434 | .00939590 |
| 6 | 5s | 36.040708 | .00080047 |
| 7 | 4s | 81.466965 | -.00003814 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103560 | < R2 > | .014403 | < 1/R > | 14.594806 | < 1/R**2 > | 429.568344 |
Total Energy= -320.12085165 a.u.
Kinetic Energy= 320.08284484 a.u.
Potential Energy= -640.20369649 a.u.
Virial Ratio = -2.00011874