(1s 2 2s 2 2p 2 4d 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | .953022 | 1.16493263 |
| 2 | 4d | .739653 | -1.60429960 |
| 3 | 3d | 3.462174 | .01657736 |
| 4 | 5d | 1.711723 | -.05341315 |
| 5 | 4d | 6.009208 | -.00082926 |
| 6 | 5d | .628771 | .02099578 |
| ORB.ENERGY,a.u. | -.290100 | ||
| NORM | 1.000000 | < R > | 6.733001 | < R2 > | 52.042448 | < 1/R > | .198825 | < 1/R**2 > | .066410 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.768313 | .79204115 |
| 2 | 2p | 4.558480 | .21860823 |
| 3 | 2p | 9.213169 | .01300938 |
| 4 | 3p | 2.352403 | .01940316 |
| 5 | 4p | 3.184079 | -.00915137 |
| 6 | 5p | 19.149597 | -.00088193 |
| 7 | 5p | .767873 | .00021811 |
| 8 | 4p | 27.821209 | -.00016155 |
| ORB.ENERGY,a.u. | -2.955500 | ||
| NORM | 1.000000 | < R > | .817931 | < R2 > | .823356 | < 1/R > | 1.577084 | < 1/R**2 > | 3.451111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460746 | .33170023 |
| 2 | 2s | 3.416783 | -.84977272 |
| 3 | 3s | 3.107311 | -.25824426 |
| 4 | 4s | 10.473173 | .01579182 |
| 5 | 3s | 12.042445 | .01103931 |
| 6 | 5s | 3.198094 | -.01446487 |
| 7 | 5s | 33.946333 | -.00012790 |
| 8 | 2s | 43.353343 | .00002854 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881036 | < R2 > | .917697 | < 1/R > | 1.636251 | < 1/R**2 > | 10.901927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.282000 | .68761233 |
| 2 | 1s | 12.187473 | .22268028 |
| 3 | 1s | 2.897561 | .00581164 |
| 4 | 2s | 9.063605 | .12759114 |
| 5 | 3s | 10.178185 | -.02742667 |
| 6 | 4s | 16.939590 | .00366978 |
| 7 | 5s | 4.999628 | -.00105133 |
| 8 | 5s | 58.222059 | -.00002045 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175223 | < R2 > | .041295 | < 1/R > | 8.645507 | < 1/R**2 > | 151.231122 |
Total Energy= -95.61114224 a.u.
Kinetic Energy= 95.60972596 a.u.
Potential Energy= -191.22086820 a.u.
Virial Ratio = -2.00001481