(1s 2 2s 2 2p 4 4d 1 ) 2 F F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | .277183 | 1.53136574 |
| 2 | 4d | .247402 | -2.00319787 |
| 3 | 3d | 1.860977 | .00349443 |
| 4 | 5d | .637541 | -.01163309 |
| 5 | 4d | 4.884652 | .00057065 |
| 6 | 5d | 16.768178 | .00003024 |
| ORB.ENERGY,a.u. | -.031283 | ||
| NORM | .999999 | < R > | 20.952959 | < R2 > | 502.185718 | < 1/R > | .062890 | < 1/R**2 > | .006411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212167 | .67453198 |
| 2 | 2p | 3.946285 | .31713174 |
| 3 | 2p | 9.766411 | .01608997 |
| 4 | 3p | 1.535350 | .05824827 |
| 5 | 4p | 9.447280 | .01372182 |
| 6 | 4p | .939662 | -.04521715 |
| 7 | 3p | 12.410470 | .00325963 |
| 8 | 5p | 1.046476 | .03641569 |
| ORB.ENERGY,a.u. | -1.124900 | ||
| NORM | 1.000000 | < R > | .969890 | < R2 > | 1.195356 | < 1/R > | 1.377821 | < 1/R**2 > | 2.732143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460647 | .30433139 |
| 2 | 2s | 3.293242 | -.83956063 |
| 3 | 3s | 2.611993 | -.32115827 |
| 4 | 4s | 4.913415 | .03223307 |
| 5 | 3s | 8.547873 | .02788141 |
| 6 | 5s | 18.601695 | .00089717 |
| 7 | 5s | 2.312397 | -.00574518 |
| 8 | 3s | 31.445227 | -.00006041 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960931 | < R2 > | 1.108639 | < 1/R > | 1.503337 | < 1/R**2 > | 9.296141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234523 | .87174391 |
| 2 | 1s | 12.237959 | .12094178 |
| 3 | 1s | 8.875824 | .00311022 |
| 4 | 2s | 6.004133 | .01817170 |
| 5 | 3s | 8.229990 | -.00754633 |
| 6 | 4s | 17.091168 | .00294398 |
| 7 | 5s | 52.228633 | -.00004097 |
| 8 | 5s | 4.144781 | .00044067 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632445 | < 1/R**2 > | 150.887131 |
Total Energy= -98.86350052 a.u.
Kinetic Energy= 98.86299370 a.u.
Potential Energy= -197.72649422 a.u.
Virial Ratio = -2.00000513