(1s 2 2s 2 2p 4 5d 1 ) 2 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 2.349583 | 1.42283924 |
| 2 | 4d | 1.817611 | -5.46838686 |
| 3 | 5d | 1.806527 | 4.81556436 |
| 4 | 3d | 6.067467 | .04213697 |
| 5 | 5d | 8.955532 | -.01085959 |
| 6 | 4d | 20.264204 | .00024261 |
| 7 | 5d | 1.432424 | -.01731380 |
| 8 | 3d | 27.338712 | .00005608 |
| ORB.ENERGY,a.u. | -1.649500 | ||
| NORM | 1.000006 | < R > | 3.750449 | < R2 > | 15.990189 | < 1/R > | .374260 | < 1/R**2 > | .295564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.036251 | 1.13738447 |
| 2 | 3p | 6.814944 | -.21512064 |
| 3 | 2p | 12.827890 | .07453842 |
| 4 | 4p | 15.184371 | .01194552 |
| 5 | 5p | 42.065692 | -.00012776 |
| 6 | 5p | 6.213075 | -.00204993 |
| ORB.ENERGY,a.u. | -16.263000 | ||
| NORM | 1.000000 | < R > | .374108 | < R2 > | .171117 | < 1/R > | 3.418472 | < 1/R**2 > | 16.022572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.490296 | .40550918 |
| 2 | 2s | 7.286709 | -.85566074 |
| 3 | 3s | 6.763983 | -.30000704 |
| 4 | 4s | 17.730242 | .00681231 |
| 5 | 3s | 20.119831 | .00807188 |
| 6 | 5s | 36.012064 | .00061614 |
| 7 | 5s | 6.436271 | -.00327197 |
| 8 | 2s | 89.315366 | .00000741 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420714 | < R2 > | .208177 | < 1/R > | 3.482170 | < 1/R**2 > | 49.507546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045518 |
| 2 | 1s | 23.358315 | .07584432 |
| 3 | 2s | 10.414141 | .02023144 |
| 4 | 3s | 12.728691 | -.02016697 |
| 5 | 4s | 15.489766 | .00891890 |
| 6 | 5s | 41.308967 | .00081006 |
| 7 | 4s | 102.958731 | -.00002537 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091029 | < R2 > | .011120 | < 1/R > | 16.590383 | < 1/R**2 > | 554.568706 |
Total Energy= -419.01135489 a.u.
Kinetic Energy= 418.98725107 a.u.
Potential Energy= -837.99860595 a.u.
Virial Ratio = -2.00005753