(1s 2 2s 2 2p 5 4d 1 ) 1 F S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 2.072093 | 1.22223611 |
| 2 | 4d | 1.773517 | -1.75996202 |
| 3 | 3d | 6.709641 | .03415341 |
| 4 | 5d | 18.735025 | .00015140 |
| 5 | 4d | 4.674619 | .04210491 |
| 6 | 4d | 38.297150 | .00002200 |
| ORB.ENERGY,a.u. | -1.593000 | ||
| NORM | 1.000000 | < R > | 2.852241 | < R2 > | 9.350962 | < 1/R > | .472134 | < 1/R**2 > | .379518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.364279 | 1.20416757 |
| 2 | 3p | 6.313779 | -.27742236 |
| 3 | 2p | 12.202490 | .07066148 |
| 4 | 4p | 14.779027 | .01191744 |
| 5 | 5p | 5.363752 | .00124732 |
| 6 | 3p | 41.984941 | .00004386 |
| 7 | 4p | 1.406610 | -.00010197 |
| ORB.ENERGY,a.u. | -11.510000 | ||
| NORM | 1.000000 | < R > | .420250 | < R2 > | .217578 | < 1/R > | 3.069902 | < 1/R**2 > | 13.047462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.880218 | .38211891 |
| 2 | 2s | 6.657042 | -.83793977 |
| 3 | 3s | 5.956585 | -.30408841 |
| 4 | 4s | 18.217601 | .00470062 |
| 5 | 3s | 19.217007 | .00672776 |
| 6 | 5s | 34.991910 | .00050341 |
| 7 | 5s | 5.308580 | -.00410200 |
| 8 | 4s | 3.937128 | .00137379 |
| 9 | 3s | 3.511736 | -.00023155 |
| 10 | 2s | 88.023862 | .00000568 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462815 | < R2 > | .252866 | < 1/R > | 3.158649 | < 1/R**2 > | 40.912534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178710 | .92259866 |
| 2 | 1s | 22.236868 | .07365812 |
| 3 | 2s | 9.341940 | .02083673 |
| 4 | 3s | 11.627442 | -.02138323 |
| 5 | 4s | 14.469363 | .01062662 |
| 6 | 5s | 38.446273 | .00077226 |
| 7 | 4s | 88.610091 | -.00003317 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097011 | < R2 > | .012641 | < 1/R > | 15.580635 | < 1/R**2 > | 489.497560 |
Total Energy= -378.88350096 a.u.
Kinetic Energy= 378.87744793 a.u.
Potential Energy= -757.76094888 a.u.
Virial Ratio = -2.00001598