(1s 2 2s 1 4s 1 ) 1 S C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4.964605 | .04746317 |
| 2 | 2s | .891282 | -1.23571602 |
| 3 | 3s | .916341 | 3.25490569 |
| 4 | 4s | .837751 | -2.72199946 |
| 5 | 5s | 1.735585 | .18454015 |
| 6 | 4s | 3.306924 | -.02088744 |
| 7 | 5s | 11.027022 | .00176364 |
| 8 | 4s | 15.396972 | .00042342 |
| ORB.ENERGY,a.u. | -.337410 | ||
| NORM | 1.000001 | < R > | 6.687715 | < R2 > | 49.990664 | < 1/R > | .188442 | < 1/R**2 > | .131586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.818688 | .27202751 |
| 2 | 2s | 1.294447 | -.61997343 |
| 3 | 3s | 2.958758 | -.65619384 |
| 4 | 4s | 1.613706 | .35898696 |
| 5 | 5s | .828439 | -.12532948 |
| 6 | 5s | 6.624512 | -.02058472 |
| 7 | 3s | 46.254340 | -.00000962 |
| 8 | 4s | .566606 | .04571099 |
| 9 | 4s | 26.264838 | -.00011007 |
| 10 | 3s | .403663 | -.02241724 |
| 11 | 5s | .355228 | .00147180 |
| ORB.ENERGY,a.u. | -2.162200 | ||
| NORM | 1.000000 | < R > | 1.286756 | < R2 > | 2.164648 | < 1/R > | 1.138617 | < 1/R**2 > | 5.226095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.285588 | .88241245 |
| 2 | 1s | 8.601275 | .12476922 |
| 3 | 2s | 4.791154 | .01705382 |
| 4 | 3s | 6.019197 | -.02415016 |
| 5 | 4s | 10.675010 | .00535655 |
| 6 | 5s | 8.620354 | .00113473 |
| 7 | 5s | 2.725647 | .00066432 |
| 8 | 4s | .567381 | -.00030785 |
| 9 | 5s | 37.709872 | -.00005412 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267366 | < R2 > | .096253 | < 1/R > | 5.678886 | < 1/R**2 > | 65.492063 |
Total Energy= -35.06750829 a.u.
Kinetic Energy= 35.06339533 a.u.
Potential Energy= -70.13090362 a.u.
Virial Ratio = -2.00011730