(1s 2 2s 2 2p 4 4d 1 ) 2 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 2.513858 | 1.46435748 |
| 2 | 4d | 2.258710 | -1.97728436 |
| 3 | 3d | 8.486124 | .01791269 |
| 4 | 4d | 5.673319 | .02073192 |
| 5 | 5d | 25.998399 | -.00007361 |
| ORB.ENERGY,a.u. | -2.578000 | ||
| NORM | .999999 | < R > | 2.278119 | < R2 > | 5.952017 | < 1/R > | .584242 | < 1/R**2 > | .563697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.033546 | 1.14170906 |
| 2 | 3p | 6.803790 | -.21849945 |
| 3 | 2p | 12.974802 | .07202820 |
| 4 | 4p | 15.331140 | .01380978 |
| 5 | 5p | 3.389047 | .00051094 |
| 6 | 5p | 17.422056 | -.00068861 |
| 7 | 4p | 69.850528 | .00002056 |
| 8 | 4p | 5.010677 | -.00197838 |
| ORB.ENERGY,a.u. | -16.000000 | ||
| NORM | 1.000000 | < R > | .374142 | < R2 > | .171169 | < 1/R > | 3.418398 | < 1/R**2 > | 16.022374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.487106 | .40545998 |
| 2 | 2s | 7.285285 | -.85587314 |
| 3 | 3s | 6.737033 | -.30059704 |
| 4 | 4s | 17.986690 | .00602955 |
| 5 | 3s | 19.750986 | .00827735 |
| 6 | 5s | 36.946116 | .00057062 |
| 7 | 5s | 5.670748 | -.00262406 |
| 8 | 4s | 3.649622 | .00060719 |
| 9 | 2s | 95.890252 | .00000529 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420932 | < R2 > | .208419 | < 1/R > | 3.480467 | < 1/R**2 > | 49.463583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045539 |
| 2 | 1s | 23.358315 | .07584434 |
| 3 | 2s | 10.413531 | .02023194 |
| 4 | 3s | 12.728940 | -.02016662 |
| 5 | 4s | 15.489959 | .00891865 |
| 6 | 5s | 41.310246 | .00081030 |
| 7 | 4s | 102.969550 | -.00002530 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091029 | < R2 > | .011120 | < 1/R > | 16.590383 | < 1/R**2 > | 554.568820 |
Total Energy= -419.96803438 a.u.
Kinetic Energy= 419.91563719 a.u.
Potential Energy= -839.88367157 a.u.
Virial Ratio = -2.00012478