(1s 2 2s 2 2p 2 4d 1 ) 4 F F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | .952377 | 1.20783248 |
| 2 | 4d | .763549 | -1.62242729 |
| 3 | 3d | 2.955204 | .05084070 |
| 4 | 5d | 1.527605 | -.09160286 |
| 5 | 4d | 3.813209 | -.00728186 |
| 6 | 5d | 12.126044 | -.00014708 |
| ORB.ENERGY,a.u. | -.296410 | ||
| NORM | 1.000001 | < R > | 6.539180 | < R2 > | 49.276773 | < 1/R > | .208296 | < 1/R**2 > | .075848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.794837 | .80292914 |
| 2 | 2p | 4.657799 | .20553814 |
| 3 | 2p | 9.959930 | .00956043 |
| 4 | 3p | 1.835779 | .02393835 |
| 5 | 4p | 1.701291 | -.00742689 |
| 6 | 5p | 21.004043 | -.00033607 |
| 7 | 5p | .732672 | -.00021548 |
| 8 | 3p | 61.150552 | .00000496 |
| ORB.ENERGY,a.u. | -2.961800 | ||
| NORM | 1.000000 | < R > | .819567 | < R2 > | .827226 | < 1/R > | 1.574899 | < 1/R**2 > | 3.443285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.457491 | .33188481 |
| 2 | 2s | 3.419016 | -.84932146 |
| 3 | 3s | 3.111957 | -.25805575 |
| 4 | 4s | 10.312782 | .01439783 |
| 5 | 3s | 11.570899 | .01248365 |
| 6 | 5s | 3.217532 | -.01578542 |
| 7 | 5s | 34.082518 | -.00011609 |
| 8 | 2s | 43.251952 | .00002717 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881155 | < R2 > | .917996 | < 1/R > | 1.636079 | < 1/R**2 > | 10.899878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.274068 | .68799311 |
| 2 | 1s | 12.192052 | .22334624 |
| 3 | 1s | 1.363871 | .00606726 |
| 4 | 2s | 9.073520 | .12824814 |
| 5 | 3s | 10.344955 | -.02727484 |
| 6 | 4s | 17.117117 | .00414522 |
| 7 | 5s | 4.462886 | -.00222884 |
| 8 | 4s | 2.191509 | -.00207108 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175221 | < R2 > | .041294 | < 1/R > | 8.645593 | < 1/R**2 > | 151.233466 |
Total Energy= -95.61073622 a.u.
Kinetic Energy= 95.61603767 a.u.
Potential Energy= -191.22677389 a.u.
Virial Ratio = -1.99994455