(1s 2 2s 2 2p 4 5d 1 ) 2 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | .251193 | 1.64691978 |
| 2 | 4d | .199650 | -5.96546598 |
| 3 | 5d | .199028 | 5.11155461 |
| 4 | 3d | 2.398807 | .00055117 |
| 5 | 4d | .126527 | -.01395439 |
| 6 | 5d | 1.222142 | .00221664 |
| 7 | 4d | 6.995374 | .00005498 |
| ORB.ENERGY,a.u. | -.020113 | ||
| NORM | .999984 | < R > | 34.294958 | < R2 > | 1334.222216 | < 1/R > | .040306 | < 1/R**2 > | .003273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212630 | .67401417 |
| 2 | 2p | 3.945350 | .31723845 |
| 3 | 2p | 9.760745 | .01612540 |
| 4 | 3p | 1.543378 | .05828042 |
| 5 | 4p | 9.450184 | .01373991 |
| 6 | 4p | .935618 | -.04431425 |
| 7 | 3p | 12.427332 | .00324123 |
| 8 | 5p | 1.043414 | .03580318 |
| ORB.ENERGY,a.u. | -1.160300 | ||
| NORM | 1.000000 | < R > | .969865 | < R2 > | 1.195248 | < 1/R > | 1.377831 | < 1/R**2 > | 2.732159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.461895 | .30425543 |
| 2 | 2s | 3.292285 | -.83936120 |
| 3 | 3s | 2.611174 | -.32076101 |
| 4 | 4s | 4.911500 | .03187364 |
| 5 | 3s | 8.558064 | .02766446 |
| 6 | 5s | 18.531101 | .00090655 |
| 7 | 5s | 2.316310 | -.00570342 |
| 8 | 3s | 31.528723 | -.00006184 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960925 | < R2 > | 1.108620 | < 1/R > | 1.503342 | < 1/R**2 > | 9.296186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230939 | .87174842 |
| 2 | 1s | 12.228307 | .12117893 |
| 3 | 1s | 10.007811 | .00289254 |
| 4 | 2s | 6.006783 | .01817744 |
| 5 | 3s | 8.205908 | -.00759286 |
| 6 | 4s | 17.134783 | .00294461 |
| 7 | 5s | 51.544665 | -.00004122 |
| 8 | 5s | 4.195380 | .00044976 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632445 | < 1/R**2 > | 150.887137 |
Total Energy= -98.85204241 a.u.
Kinetic Energy= 98.85182879 a.u.
Potential Energy= -197.70387120 a.u.
Virial Ratio = -2.00000216