(1s 2 2s 2 2p 1 5d 1 ) 3 D C 0
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 | .234042 | 2.04211783 |
| 2 | 4d | .191539 | -8.81555405 |
| 3 | 5d | .201500 | 7.35919765 |
| 4 | 3d | .981245 | .01175508 |
| 5 | 4d | .162068 | .25693288 |
| 6 | 5d | .772822 | .01942156 |
| 7 | 4d | 3.160474 | .00102454 |
| 8 | 5d | 11.441397 | .00004743 |
| ORB.ENERGY,a.u. | -.020334 | ||
| NORM | .999995 | < R > | 33.871065 | < R2 > | 1302.609476 | < 1/R > | .041121 | < 1/R**2 > | .003506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.584823 | .79504550 |
| 2 | 2p | 2.536492 | .24221285 |
| 3 | 2p | 6.433061 | .01117131 |
| 4 | 3p | 2.738064 | -.04773117 |
| 5 | 4p | 1.526445 | .04488502 |
| 6 | 4p | 10.541611 | -.00071074 |
| ORB.ENERGY,a.u. | -.822180 | ||
| NORM | 1.000000 | < R > | 1.472218 | < R2 > | 2.687542 | < 1/R > | .885192 | < 1/R**2 > | 1.103252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579942 | .24033450 |
| 2 | 2s | 1.552757 | -.76078782 |
| 3 | 3s | 2.862488 | -.27239972 |
| 4 | 4s | 11.701700 | .00197548 |
| 5 | 5s | 5.912161 | -.02893640 |
| 6 | 5s | 1.867369 | .02766984 |
| 7 | 2s | 38.958634 | -.00000310 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475631 | < R2 > | 2.589845 | < 1/R > | .961117 | < 1/R**2 > | 3.715925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213011 | .71610223 |
| 2 | 1s | 8.200445 | .22615178 |
| 3 | 1s | 2.379368 | .00350847 |
| 4 | 2s | 6.450081 | .08053805 |
| 5 | 3s | 6.779482 | -.01402103 |
| 6 | 4s | 10.926117 | .00565189 |
| 7 | 5s | 42.339122 | -.00002666 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268103 | < R2 > | .096880 | < 1/R > | 5.668486 | < 1/R**2 > | 65.302498 |
Total Energy= -37.31264434 a.u.
Kinetic Energy= 37.31255845 a.u.
Potential Energy= -74.62520279 a.u.
Virial Ratio = -2.00000230