(1s 2 2s 2 2p 1 5d 1 ) 3 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.593083 | 1.46537987 |
| 2 | 4d | 2.131833 | -4.43830313 |
| 3 | 5d | 1.995365 | 3.68552366 |
| 4 | 3d | 6.019015 | .03355619 |
| 5 | 5d | 9.061826 | -.00481214 |
| 6 | 5d | 1.595059 | -.02154704 |
| 7 | 4d | 31.823223 | .00005529 |
| 8 | 3d | 52.334459 | .00000351 |
| ORB.ENERGY,a.u. | -2.041100 | ||
| NORM | 1.000000 | < R > | 3.373793 | < R2 > | 12.923746 | < 1/R > | .412759 | < 1/R**2 > | .351827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.158176 | 1.08430285 |
| 2 | 3p | 7.570895 | -.09933241 |
| 3 | 2p | 14.717177 | .01503893 |
| 4 | 5p | 17.682405 | .00265854 |
| 5 | 4p | 31.161767 | -.00031934 |
| 6 | 5p | 5.345226 | .00200785 |
| 7 | 5p | 98.318217 | -.00000427 |
| 8 | 4p | 1.461994 | -.00010904 |
| ORB.ENERGY,a.u. | -17.195000 | ||
| NORM | 1.000000 | < R > | .396869 | < R2 > | .190677 | < 1/R > | 3.185422 | < 1/R**2 > | 13.733642 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.940414 | .37324520 |
| 2 | 2s | 5.670473 | -.80903774 |
| 3 | 3s | 8.183808 | -.28225917 |
| 4 | 4s | 28.142609 | .00128884 |
| 5 | 5s | 16.046487 | -.01095975 |
| 6 | 5s | 6.305285 | .01731012 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456525 | < R2 > | .243868 | < 1/R > | 3.212063 | < 1/R**2 > | 41.729915 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165734 | .93088470 |
| 2 | 1s | 21.884178 | .06870255 |
| 3 | 2s | 13.046431 | .01921204 |
| 4 | 3s | 16.064461 | -.01653101 |
| 5 | 4s | 74.182281 | -.00006357 |
| 6 | 5s | 34.554054 | .00079548 |
| 7 | 5s | 9.002397 | .00006898 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648375 | < 1/R**2 > | 432.015701 |
Total Energy= -278.14030221 a.u.
Kinetic Energy= 278.13644629 a.u.
Potential Energy= -556.27674850 a.u.
Virial Ratio = -2.00001386