(1s 2 2s 2 2p 1 4s 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 7.406562 | .07846252 |
| 2 | 2s | 2.277840 | -.54540202 |
| 3 | 3s | 1.689408 | 1.26160658 |
| 4 | 4s | 1.136177 | -1.81814232 |
| 5 | 5s | 8.269482 | -.00793538 |
| 6 | 5s | 1.746431 | .53036431 |
| 7 | 4s | 3.100909 | -.03574252 |
| 8 | 5s | 20.911752 | .00055334 |
| 9 | 4s | 83.485985 | -.00001007 |
| ORB.ENERGY,a.u. | -.641550 | ||
| NORM | 1.000002 | < R > | 4.708281 | < R2 > | 24.871217 | < 1/R > | .293282 | < 1/R**2 > | .627456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.076653 | .88762108 |
| 2 | 2p | 5.176702 | .12816063 |
| 3 | 2p | 10.814021 | .00645929 |
| 4 | 3p | 2.974620 | -.00796356 |
| 5 | 4p | 2.780754 | .00966643 |
| 6 | 4p | 15.388065 | -.00069804 |
| 7 | 5p | 1.318748 | .00043180 |
| ORB.ENERGY,a.u. | -3.899600 | ||
| NORM | 1.000000 | < R > | .767272 | < R2 > | .718373 | < 1/R > | 1.664777 | < 1/R**2 > | 3.803475 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.027054 | .31174662 |
| 2 | 2s | 2.983008 | -.77787233 |
| 3 | 3s | 4.656515 | -.27009237 |
| 4 | 4s | 15.080954 | .00288330 |
| 5 | 5s | 9.060130 | -.01192948 |
| 6 | 5s | 1.206632 | -.00778837 |
| 7 | 4s | 2.519416 | .01548565 |
| 8 | 3s | 11.837546 | .00211656 |
| 9 | 5s | 4.346824 | -.01342255 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .842142 | < R2 > | .834289 | < 1/R > | 1.714244 | < 1/R**2 > | 11.904388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.049094 | .85235073 |
| 2 | 1s | 12.605046 | .14425489 |
| 3 | 2s | 10.980842 | .02050487 |
| 4 | 3s | 9.850558 | -.01523661 |
| 5 | 4s | 16.519377 | .00435299 |
| 6 | 1s | .631583 | .00239184 |
| 7 | 5s | 1.600480 | .00200902 |
| 8 | 3s | 1.232563 | -.00391140 |
| 9 | 5s | 69.473079 | -.00001460 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174845 | < R2 > | .041079 | < 1/R > | 8.657012 | < 1/R**2 > | 151.537567 |
Total Energy= -92.77394539 a.u.
Kinetic Energy= 92.76798103 a.u.
Potential Energy= -185.54192642 a.u.
Virial Ratio = -2.00006429