(1s 2 2s 2 2p 1 5d 1 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | .235886 | 1.89045264 |
| 2 | 4d | .192286 | -8.63442210 |
| 3 | 5d | .202722 | 7.20397150 |
| 4 | 3d | .810492 | .03164560 |
| 5 | 4d | .167068 | .35039663 |
| 6 | 5d | .666375 | .03661280 |
| 7 | 4d | 2.395549 | .00416680 |
| 8 | 5d | 5.833207 | .00048269 |
| 9 | 4d | 10.225382 | .00007856 |
| ORB.ENERGY,a.u. | -.020521 | ||
| NORM | .999996 | < R > | 33.489333 | < R2 > | 1275.234223 | < 1/R > | .042074 | < 1/R**2 > | .003822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.588386 | .80627407 |
| 2 | 2p | 2.552241 | .23519309 |
| 3 | 2p | 6.529528 | .01062299 |
| 4 | 3p | 2.718428 | -.05072138 |
| 5 | 4p | 1.499510 | .04409836 |
| 6 | 4p | 10.428659 | -.00061103 |
| ORB.ENERGY,a.u. | -.822370 | ||
| NORM | 1.000000 | < R > | 1.473032 | < R2 > | 2.691307 | < 1/R > | .884884 | < 1/R**2 > | 1.102640 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579984 | .24033387 |
| 2 | 2s | 1.552718 | -.76077883 |
| 3 | 3s | 2.862554 | -.27242113 |
| 4 | 4s | 11.702725 | .00197472 |
| 5 | 5s | 5.912200 | -.02894082 |
| 6 | 5s | 1.868347 | .02767061 |
| 7 | 2s | 39.024943 | -.00000309 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475639 | < R2 > | 2.589907 | < 1/R > | .961122 | < 1/R**2 > | 3.715979 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213049 | .71609859 |
| 2 | 1s | 8.200435 | .22614928 |
| 3 | 1s | 2.380989 | .00351369 |
| 4 | 2s | 6.450204 | .08053448 |
| 5 | 3s | 6.779302 | -.01401849 |
| 6 | 4s | 10.925416 | .00565353 |
| 7 | 5s | 42.364279 | -.00002665 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268103 | < R2 > | .096879 | < 1/R > | 5.668493 | < 1/R**2 > | 65.302616 |
Total Energy= -37.31261596 a.u.
Kinetic Energy= 37.31274380 a.u.
Potential Energy= -74.62535976 a.u.
Virial Ratio = -1.99999657