(1s 2 2s 2 2p 2 5d 1 ) 4 D S 9+
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 | 2.598034 | 1.54349261 |
| 2 | 4d | 2.198057 | -4.09735021 |
| 3 | 5d | 2.000377 | 3.28312504 |
| 4 | 3d | 7.547751 | .02711983 |
| 5 | 5d | 4.352653 | -.05528647 |
| 6 | 4d | 18.775515 | -.00041437 |
| 7 | 5d | 1.503565 | -.00937565 |
| 8 | 5d | 77.224468 | -.00000415 |
| ORB.ENERGY,a.u. | -2.057700 | ||
| NORM | .999998 | < R > | 3.343233 | < R2 > | 12.691139 | < 1/R > | .417764 | < 1/R**2 > | .366328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.334685 | 1.13221512 |
| 2 | 3p | 7.545754 | -.15319926 |
| 3 | 2p | 15.254520 | .01970059 |
| 4 | 4p | 16.609751 | .00453416 |
| 5 | 5p | 35.350708 | -.00025801 |
| 6 | 5p | 1.472863 | .00007797 |
| 7 | 4p | 5.305458 | -.00092021 |
| ORB.ENERGY,a.u. | -18.136000 | ||
| NORM | 1.000000 | < R > | .378360 | < R2 > | .173716 | < 1/R > | 3.350879 | < 1/R**2 > | 15.247986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.624491 | .42194749 |
| 2 | 2s | 6.969320 | -.86310022 |
| 3 | 3s | 7.111930 | -.28398525 |
| 4 | 4s | 26.967208 | .00210891 |
| 5 | 3s | 14.868459 | .01703038 |
| 6 | 5s | 7.147491 | -.02185183 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433289 | < R2 > | .220016 | < 1/R > | 3.384359 | < 1/R**2 > | 46.477029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672053 |
| 2 | 1s | 23.112841 | .07200833 |
| 3 | 2s | 14.129433 | .01947668 |
| 4 | 3s | 17.753855 | -.01558726 |
| 5 | 5s | 37.700285 | .00090179 |
| 6 | 4s | 89.316007 | -.00003652 |
| 7 | 5s | 11.797323 | .00036801 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626932 | < 1/R**2 > | 491.749609 |
Total Energy= -336.98102371 a.u.
Kinetic Energy= 336.98623456 a.u.
Potential Energy= -673.96725827 a.u.
Virial Ratio = -1.99998454