(1s 2 2s 2 2p 4 5d 1 ) 4 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 5d- electron | |
| 1 | 3d | 2.058247 | .99481537 |
| 2 | 4d | 1.422710 | -4.78472356 |
| 3 | 5d | 1.427400 | 4.55584699 |
| 4 | 3d | 4.742105 | .07103529 |
| 5 | 5d | 7.160816 | -.01391911 |
| 6 | 4d | 14.377494 | .00039533 |
| 7 | 5d | 1.143336 | -.02589557 |
| 8 | 3d | 18.669978 | .00014546 |
| ORB.ENERGY,a.u. | -1.025700 | ||
| NORM | .999999 | < R > | 4.683671 | < R2 > | 24.941578 | < 1/R > | .301468 | < 1/R**2 > | .197763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.126750 | 1.17790452 |
| 2 | 3p | 5.956003 | -.24826148 |
| 3 | 2p | 11.517958 | .06803755 |
| 4 | 4p | 13.506407 | .01258835 |
| 5 | 5p | 35.348273 | -.00014243 |
| 6 | 5p | .996171 | .00003395 |
| 7 | 4p | 4.683699 | -.00179937 |
| ORB.ENERGY,a.u. | -10.999000 | ||
| NORM | 1.000000 | < R > | .441035 | < R2 > | .238696 | < 1/R > | 2.912615 | < 1/R**2 > | 11.692603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.011246 | .38768827 |
| 2 | 2s | 6.244038 | -.85742932 |
| 3 | 3s | 5.522539 | -.30474598 |
| 4 | 4s | 17.119398 | .00894697 |
| 5 | 3s | 20.892325 | .00496717 |
| 6 | 5s | 29.083836 | .00088155 |
| 7 | 5s | 6.397722 | .01625923 |
| 8 | 4s | 4.104073 | .00067342 |
| 9 | 3s | 42.326757 | -.00013942 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489521 | < R2 > | .282396 | < 1/R > | 2.983962 | < 1/R**2 > | 36.418407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211053 | .92278984 |
| 2 | 1s | 20.926997 | .07367858 |
| 3 | 2s | 8.782339 | .02035946 |
| 4 | 3s | 10.787573 | -.02030038 |
| 5 | 4s | 13.363993 | .00939354 |
| 6 | 5s | 35.937495 | .00085921 |
| 7 | 4s | 85.270808 | -.00003560 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597163 | < 1/R**2 > | 429.677206 |
Total Energy= -317.70255494 a.u.
Kinetic Energy= 317.71357322 a.u.
Potential Energy= -635.41612815 a.u.
Virial Ratio = -1.99996532