(1s 2 2s 2 2p 2 4d 1 ) 2 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 3.250689 | 1.24120525 |
| 2 | 4d | 2.756309 | -1.77153810 |
| 3 | 3d | 6.659623 | .05528199 |
| 4 | 5d | 9.847215 | -.00984197 |
| 5 | 4d | 24.983228 | .00007024 |
| 6 | 5d | 2.459425 | .01216632 |
| 7 | 3d | 27.278008 | .00006560 |
| ORB.ENERGY,a.u. | -3.903100 | ||
| NORM | 1.000001 | < R > | 1.839660 | < R2 > | 3.877155 | < 1/R > | .722017 | < 1/R**2 > | .860470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.770285 | 1.12932713 |
| 2 | 3p | 7.837586 | -.15372778 |
| 3 | 2p | 16.267508 | .02090512 |
| 4 | 4p | 19.267550 | .00649514 |
| 5 | 5p | 28.655197 | -.00106734 |
| 6 | 5p | 5.429630 | -.00049756 |
| 7 | 4p | 77.044514 | .00002534 |
| ORB.ENERGY,a.u. | -21.026000 | ||
| NORM | 1.000000 | < R > | .351849 | < R2 > | .150144 | < 1/R > | 3.600508 | < 1/R**2 > | 17.584675 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324363 | .43082257 |
| 2 | 2s | 7.490822 | -.86877774 |
| 3 | 3s | 7.615265 | -.28626076 |
| 4 | 4s | 28.689413 | .00199286 |
| 5 | 3s | 15.720242 | .01691485 |
| 6 | 5s | 7.692676 | -.02051303 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404324 | < R2 > | .191525 | < 1/R > | 3.631723 | < 1/R**2 > | 53.494092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144651 |
| 2 | 1s | 24.151053 | .07730109 |
| 3 | 2s | 15.032212 | .01928274 |
| 4 | 3s | 18.605136 | -.01560931 |
| 5 | 5s | 40.504153 | .00084916 |
| 6 | 4s | 97.157219 | -.00003076 |
| 7 | 5s | 12.580221 | .00033165 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625514 | < 1/R**2 > | 556.392864 |
Total Energy= -385.05932239 a.u.
Kinetic Energy= 385.06533108 a.u.
Potential Energy= -770.12465347 a.u.
Virial Ratio = -1.99998440