(1s 2 2s 2 2p 1 5d 1 ) 1 D N +
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 | .508335 | 1.43488897 |
| 2 | 4d | .418596 | -5.43343018 |
| 3 | 5d | .413854 | 4.36407225 |
| 4 | 3d | 1.660933 | .07409050 |
| 5 | 4d | .342402 | .30196433 |
| 6 | 5d | 1.339441 | .04628600 |
| 7 | 4d | 2.220114 | -.02009210 |
| 8 | 5d | 23.161947 | .00000880 |
| ORB.ENERGY,a.u. | -.083409 | ||
| NORM | .999994 | < R > | 16.442678 | < R2 > | 307.732042 | < 1/R > | .086423 | < 1/R**2 > | .016525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.106999 | .83326999 |
| 2 | 2p | 3.563716 | .15983679 |
| 3 | 2p | 7.815260 | .00980536 |
| 4 | 3p | 2.110666 | .00218612 |
| 5 | 4p | 2.025009 | .03371523 |
| 6 | 4p | 12.236556 | -.00066000 |
| 7 | 5p | .820521 | -.00025547 |
| ORB.ENERGY,a.u. | -1.632200 | ||
| NORM | 1.000000 | < R > | 1.122529 | < R2 > | 1.550331 | < 1/R > | 1.149610 | < 1/R**2 > | 1.837560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427198 | .26765506 |
| 2 | 2s | 2.001332 | -.76145508 |
| 3 | 3s | 3.461489 | -.27611031 |
| 4 | 4s | 13.170520 | .00227492 |
| 5 | 5s | 7.041404 | -.02358439 |
| 6 | 5s | 2.264056 | .03118800 |
| 7 | 4s | 28.967286 | .00003354 |
| 8 | 4s | 1.878100 | -.00884903 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179440 | < R2 > | 1.644611 | < 1/R > | 1.210893 | < 1/R**2 > | 5.925136 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.270088 | .00612846 |
| 2 | 1s | 6.254694 | .70949107 |
| 3 | 1s | 9.332014 | .22641388 |
| 4 | 2s | 7.139611 | .08427254 |
| 5 | 3s | 7.701685 | -.01452606 |
| 6 | 4s | 12.788723 | .00522480 |
| 7 | 5s | 22.105347 | .00018966 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227664 | < R2 > | .069767 | < 1/R > | 6.663993 | < 1/R**2 > | 90.058058 |
Total Energy= -52.89797271 a.u.
Kinetic Energy= 52.89920581 a.u.
Potential Energy= -105.79717852 a.u.
Virial Ratio = -1.99997669