(1s 2 2s 1 5d 1 ) 3 D S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.568760 | 3.56079791 |
| 2 | 4d | 2.601711 | -9.02866225 |
| 3 | 5d | 2.620651 | 6.10529248 |
| 4 | 3d | 5.362293 | .03095417 |
| 5 | 5d | 37.422564 | .00000775 |
| 6 | 5d | 2.254976 | .02622635 |
| 7 | 4d | 11.497452 | .00389345 |
| 8 | 3d | 18.636969 | .00045404 |
| ORB.ENERGY,a.u. | -3.412700 | ||
| NORM | .999998 | < R > | 2.627959 | < R2 > | 7.833500 | < 1/R > | .526178 | < 1/R**2 > | .559660 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.008391 | .43294922 |
| 2 | 2s | 6.985304 | -.81475347 |
| 3 | 3s | 8.278570 | -.30529345 |
| 4 | 5s | 14.061271 | -.02016720 |
| 5 | 4s | 27.721770 | .00645209 |
| 6 | 5s | 36.496531 | -.00167309 |
| 7 | 4s | 95.460826 | .00002254 |
| ORB.ENERGY,a.u. | -25.468000 | ||
| NORM | 1.000000 | < R > | .407428 | < R2 > | .193583 | < 1/R > | 3.623922 | < 1/R**2 > | 52.901975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.409444 | .93902526 |
| 2 | 1s | 24.336423 | .04848763 |
| 3 | 2s | 18.813215 | .01666468 |
| 4 | 3s | 11.398096 | .00146902 |
| 5 | 4s | 64.810362 | -.00042865 |
| 6 | 5s | 86.800491 | .00015659 |
| 7 | 5s | 7.685266 | .00008663 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096119 | < R2 > | .012363 | < 1/R > | 15.674857 | < 1/R**2 > | 494.149303 |
Total Energy= -275.45655585 a.u.
Kinetic Energy= 275.40369674 a.u.
Potential Energy= -550.86025259 a.u.
Virial Ratio = -2.00019193