(1s 2 2s 2 2p 4 4d 1 ) 4 F P 6+
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 | 2.090336 | 1.18073751 |
| 2 | 4d | 1.778869 | -1.72992620 |
| 3 | 3d | 6.353078 | .04066368 |
| 4 | 4d | 4.585635 | .04613067 |
| 5 | 5d | 20.256356 | -.00013490 |
| ORB.ENERGY,a.u. | -1.601000 | ||
| NORM | 1.000000 | < R > | 2.835446 | < R2 > | 9.241549 | < 1/R > | .475311 | < 1/R**2 > | .385509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.139463 | 1.17691849 |
| 2 | 3p | 5.987525 | -.24662468 |
| 3 | 2p | 11.581017 | .06620582 |
| 4 | 4p | 13.561603 | .01272797 |
| 5 | 5p | 34.348417 | -.00012069 |
| 6 | 5p | 2.078336 | -.00020385 |
| ORB.ENERGY,a.u. | -10.807000 | ||
| NORM | 1.000000 | < R > | .441371 | < R2 > | .239125 | < 1/R > | 2.911123 | < 1/R**2 > | 11.683019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.021922 | .38698701 |
| 2 | 2s | 6.263982 | -.84711919 |
| 3 | 3s | 5.677140 | -.29895946 |
| 4 | 4s | 16.778146 | .00764458 |
| 5 | 3s | 18.778229 | .00646631 |
| 6 | 5s | 31.361512 | .00067295 |
| 7 | 5s | 4.750231 | -.00292850 |
| 8 | 4s | 3.342189 | .00099334 |
| 9 | 3s | 48.879937 | -.00005964 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489787 | < R2 > | .282746 | < 1/R > | 2.982490 | < 1/R**2 > | 36.385918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211053 | .92279221 |
| 2 | 1s | 20.927995 | .07367526 |
| 3 | 2s | 8.785969 | .02035115 |
| 4 | 3s | 10.791517 | -.02029270 |
| 5 | 4s | 13.365724 | .00939099 |
| 6 | 5s | 35.991177 | .00086111 |
| 7 | 4s | 85.249273 | -.00003435 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103534 | < R2 > | .014395 | < 1/R > | 14.597240 | < 1/R**2 > | 429.680877 |
Total Energy= -318.28459539 a.u.
Kinetic Energy= 318.28892375 a.u.
Potential Energy= -636.57351914 a.u.
Virial Ratio = -1.99998640