(1s 2 2s 2 2p 4 4d 1 ) 4 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 2.179826 | 1.06381623 |
| 2 | 4d | 1.778828 | -1.62523307 |
| 3 | 3d | 6.337662 | .04280141 |
| 4 | 4d | 4.694463 | .04823626 |
| 5 | 5d | 19.831087 | -.00017188 |
| 6 | 5d | 1.583780 | .01097332 |
| ORB.ENERGY,a.u. | -1.619900 | ||
| NORM | 1.000001 | < R > | 2.801821 | < R2 > | 9.021542 | < 1/R > | .481107 | < 1/R**2 > | .396119 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.138553 | 1.17651134 |
| 2 | 3p | 5.986341 | -.24618421 |
| 3 | 2p | 11.584913 | .06621598 |
| 4 | 4p | 13.592641 | .01274961 |
| 5 | 5p | 33.700035 | -.00012271 |
| 6 | 5p | 2.160799 | -.00021339 |
| ORB.ENERGY,a.u. | -10.826000 | ||
| NORM | 1.000000 | < R > | .441468 | < R2 > | .239233 | < 1/R > | 2.910550 | < 1/R**2 > | 11.678856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.018470 | .38714394 |
| 2 | 2s | 6.266422 | -.84710960 |
| 3 | 3s | 5.687584 | -.29881919 |
| 4 | 4s | 16.373356 | .00820362 |
| 5 | 3s | 19.422197 | .00625195 |
| 6 | 5s | 28.791576 | .00092145 |
| 7 | 5s | 5.118630 | -.00426974 |
| 8 | 4s | 3.826488 | .00136274 |
| 9 | 3s | 44.494153 | -.00011352 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489797 | < R2 > | .282758 | < 1/R > | 2.982424 | < 1/R**2 > | 36.384308 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211053 | .92279370 |
| 2 | 1s | 20.928238 | .07367452 |
| 3 | 2s | 8.786821 | .02034730 |
| 4 | 3s | 10.792308 | -.02029121 |
| 5 | 4s | 13.365698 | .00939085 |
| 6 | 5s | 36.008651 | .00086167 |
| 7 | 4s | 85.237706 | -.00003398 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103534 | < R2 > | .014395 | < 1/R > | 14.597275 | < 1/R**2 > | 429.682502 |
Total Energy= -318.28404365 a.u.
Kinetic Energy= 318.30785040 a.u.
Potential Energy= -636.59189405 a.u.
Virial Ratio = -1.99992521