(1s 2 2s 2 2p 4 5d 1 ) 4 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 2.578272 | 1.06334961 |
| 2 | 4d | 1.816572 | -5.07919689 |
| 3 | 5d | 1.833410 | 4.77708400 |
| 4 | 3d | 5.798631 | .06807030 |
| 5 | 5d | 8.767689 | -.01243426 |
| 6 | 4d | 20.712921 | .00016460 |
| 7 | 5d | 1.436590 | -.01414242 |
| 8 | 3d | 25.723414 | .00006638 |
| ORB.ENERGY,a.u. | -1.689100 | ||
| NORM | 1.000000 | < R > | 3.660688 | < R2 > | 15.226341 | < 1/R > | .383865 | < 1/R**2 > | .315978 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.032792 | 1.13288065 |
| 2 | 3p | 6.786104 | -.21196290 |
| 3 | 2p | 12.944907 | .07371831 |
| 4 | 4p | 15.436636 | .01485986 |
| 5 | 5p | 19.371945 | -.00093924 |
| 6 | 5p | 5.601549 | -.00137172 |
| 7 | 4p | 66.338930 | .00002736 |
| ORB.ENERGY,a.u. | -16.302000 | ||
| NORM | 1.000000 | < R > | .374229 | < R2 > | .171225 | < 1/R > | 3.417450 | < 1/R**2 > | 16.013835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.490629 | .40548491 |
| 2 | 2s | 7.286393 | -.85557178 |
| 3 | 3s | 6.761943 | -.30014128 |
| 4 | 4s | 17.745228 | .00668807 |
| 5 | 3s | 20.070633 | .00809418 |
| 6 | 5s | 36.087041 | .00061474 |
| 7 | 5s | 6.407429 | -.00309677 |
| 8 | 2s | 90.394802 | .00000706 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420719 | < R2 > | .208182 | < 1/R > | 3.482103 | < 1/R**2 > | 49.505471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045685 |
| 2 | 1s | 23.358841 | .07584275 |
| 3 | 2s | 10.416461 | .02022643 |
| 4 | 3s | 12.730343 | -.02016445 |
| 5 | 4s | 15.489090 | .00891907 |
| 6 | 5s | 41.339565 | .00081089 |
| 7 | 4s | 103.028870 | -.00002483 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011120 | < 1/R > | 16.590436 | < 1/R**2 > | 554.571565 |
Total Energy= -419.01169033 a.u.
Kinetic Energy= 419.02684734 a.u.
Potential Energy= -838.03853767 a.u.
Virial Ratio = -1.99996383