(1s 2 2s 1 3s 1 ) 1 S F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 5.858827 | .09324197 |
| 2 | 2s | 2.877401 | -.50821072 |
| 3 | 3s | 2.094307 | 1.49909215 |
| 4 | 4s | 3.933967 | -.19933479 |
| 5 | 5s | 6.216043 | -.02120831 |
| 6 | 4s | 15.048170 | .00217688 |
| 7 | 5s | 2.136605 | -.04738347 |
| 8 | 5s | 43.734786 | .00004581 |
| ORB.ENERGY,a.u. | -2.336200 | ||
| NORM | 1.000000 | < R > | 1.980487 | < R2 > | 4.277057 | < 1/R > | .569445 | < 1/R**2 > | .689659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.303864 | .35582215 |
| 2 | 2s | 3.482567 | -.45914578 |
| 3 | 3s | 4.563424 | -.68896954 |
| 4 | 4s | 2.401265 | .28870105 |
| 5 | 5s | 9.562827 | -.02053343 |
| 6 | 4s | 33.504578 | -.00075598 |
| 7 | 3s | 18.293535 | .00116652 |
| 8 | 5s | 1.455202 | .01595129 |
| 9 | 5s | 45.284512 | .00026149 |
| 10 | 4s | 1.287184 | -.01798885 |
| ORB.ENERGY,a.u. | -6.226500 | ||
| NORM | 1.000000 | < R > | .742211 | < R2 > | .698551 | < 1/R > | 2.035178 | < 1/R**2 > | 16.662352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.161000 | .86644563 |
| 2 | 1s | 12.278092 | .13411259 |
| 3 | 2s | 6.624244 | .02919105 |
| 4 | 3s | 8.201393 | -.03005295 |
| 5 | 4s | 16.594384 | .00331600 |
| 6 | 5s | 10.580514 | .00112335 |
| 7 | 5s | 3.623048 | .00042711 |
| 8 | 5s | 54.569695 | -.00004108 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174332 | < R2 > | .040793 | < 1/R > | 8.674471 | < 1/R**2 > | 152.026166 |
Total Energy= -84.62367559 a.u.
Kinetic Energy= 84.61384995 a.u.
Potential Energy= -169.23752554 a.u.
Virial Ratio = -2.00011612