(1s 2 2s 2 2p 2 4d 1 ) 4 D S 9+
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 | 3.062217 | 1.12584751 |
| 2 | 4d | 2.489773 | -1.65381184 |
| 3 | 3d | 6.549545 | .06141925 |
| 4 | 4d | 7.715231 | -.01341850 |
| 5 | 5d | 1.974577 | .02780136 |
| 6 | 5d | 24.063776 | -.00041693 |
| 7 | 4d | 39.933599 | -.00003736 |
| 8 | 4d | 1.607712 | -.01384621 |
| ORB.ENERGY,a.u. | -3.237300 | ||
| NORM | 1.000000 | < R > | 2.012491 | < R2 > | 4.641467 | < 1/R > | .661900 | < 1/R**2 > | .729367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.350979 | 1.13781347 |
| 2 | 3p | 7.671128 | -.15694800 |
| 3 | 2p | 15.529187 | .01727375 |
| 4 | 4p | 16.261916 | .00433383 |
| 5 | 5p | 35.703103 | -.00021794 |
| 6 | 5p | 2.946370 | -.00044488 |
| 7 | 4p | 104.423486 | .00000290 |
| ORB.ENERGY,a.u. | -17.892000 | ||
| NORM | 1.000000 | < R > | .378802 | < R2 > | .174157 | < 1/R > | 3.347817 | < 1/R**2 > | 15.224095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.626477 | .42153669 |
| 2 | 2s | 6.968625 | -.86236899 |
| 3 | 3s | 7.092668 | -.28399810 |
| 4 | 4s | 26.749676 | .00208107 |
| 5 | 3s | 15.047875 | .01645395 |
| 6 | 5s | 7.142397 | -.02200625 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433607 | < R2 > | .220368 | < 1/R > | 3.381853 | < 1/R**2 > | 46.413075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672267 |
| 2 | 1s | 23.113687 | .07200586 |
| 3 | 2s | 14.133373 | .01947405 |
| 4 | 3s | 17.755315 | -.01558646 |
| 5 | 5s | 37.732314 | .00090102 |
| 6 | 4s | 89.218681 | -.00003610 |
| 7 | 5s | 11.782886 | .00037328 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626999 | < 1/R**2 > | 491.753225 |
Total Energy= -338.15372860 a.u.
Kinetic Energy= 338.16573392 a.u.
Potential Energy= -676.31946253 a.u.
Virial Ratio = -1.99996450