(1s 2 2s 2 2p 4 4d 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | .237206 | 2.50020918 |
| 2 | 4d | .246793 | -3.07863976 |
| 3 | 3d | 2.663396 | .00135766 |
| 4 | 5d | .996511 | -.00352865 |
| 5 | 5d | .233957 | .03518076 |
| ORB.ENERGY,a.u. | -.031060 | ||
| NORM | .999999 | < R > | 21.134537 | < R2 > | 510.440535 | < 1/R > | .062087 | < 1/R**2 > | .006172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212560 | .67412866 |
| 2 | 2p | 3.945341 | .31719957 |
| 3 | 2p | 9.753808 | .01615845 |
| 4 | 3p | 1.541743 | .05823991 |
| 5 | 4p | 9.446616 | .01373799 |
| 6 | 4p | .936329 | -.04460727 |
| 7 | 3p | 12.425356 | .00323158 |
| 8 | 5p | 1.044177 | .03605006 |
| ORB.ENERGY,a.u. | -1.124700 | ||
| NORM | 1.000000 | < R > | .969840 | < R2 > | 1.195186 | < 1/R > | 1.377859 | < 1/R**2 > | 2.732252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492059 | .30241728 |
| 2 | 2s | 3.280950 | -.83668157 |
| 3 | 3s | 2.607620 | -.31929450 |
| 4 | 4s | 4.805789 | .03027243 |
| 5 | 3s | 8.731020 | .02665310 |
| 6 | 5s | 19.312216 | .00072314 |
| 7 | 5s | 2.265191 | -.00513463 |
| 8 | 2s | 50.507419 | .00000739 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960934 | < R2 > | 1.108644 | < 1/R > | 1.503329 | < 1/R**2 > | 9.296045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230897 | .87183907 |
| 2 | 1s | 12.228387 | .12120367 |
| 3 | 1s | 10.017738 | .00279062 |
| 4 | 2s | 6.002101 | .01819395 |
| 5 | 3s | 8.195159 | -.00761449 |
| 6 | 4s | 17.141551 | .00293432 |
| 7 | 5s | 51.444924 | -.00004168 |
| 8 | 5s | 4.184234 | .00044621 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632443 | < 1/R**2 > | 150.887084 |
Total Energy= -98.86348126 a.u.
Kinetic Energy= 98.86276977 a.u.
Potential Energy= -197.72625103 a.u.
Virial Ratio = -2.00000720