(1s 2 2s 2 2p 5 4d 1 ) 1 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 2.348685 | 1.24143317 |
| 2 | 4d | 2.023996 | -1.78072819 |
| 3 | 3d | 7.382562 | .03643436 |
| 4 | 4d | 5.269691 | .04012664 |
| 5 | 5d | 24.043554 | -.00008623 |
| ORB.ENERGY,a.u. | -2.074300 | ||
| NORM | .999999 | < R > | 2.502534 | < R2 > | 7.198662 | < 1/R > | .538059 | < 1/R**2 > | .492307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.871746 | 1.18817377 |
| 2 | 3p | 6.921939 | -.25586569 |
| 3 | 2p | 13.097799 | .06593522 |
| 4 | 4p | 15.840137 | .01067093 |
| 5 | 4p | 3.574020 | .00090332 |
| 6 | 5p | 3.095317 | -.00049742 |
| 7 | 4p | 68.079884 | .00002035 |
| ORB.ENERGY,a.u. | -14.086000 | ||
| NORM | 1.000000 | < R > | .387290 | < R2 > | .184363 | < 1/R > | 3.322264 | < 1/R**2 > | 15.234173 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.604484 | .39176365 |
| 2 | 2s | 7.171829 | -.84281661 |
| 3 | 3s | 6.475393 | -.30536361 |
| 4 | 4s | 18.433430 | .00511303 |
| 5 | 3s | 20.433582 | .00678362 |
| 6 | 5s | 36.054012 | .00056852 |
| 7 | 5s | 5.666979 | -.00360730 |
| 8 | 4s | 4.239221 | .00138246 |
| 9 | 3s | 3.883376 | -.00024163 |
| 10 | 2s | 89.834004 | .00000709 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429658 | < R2 > | .217671 | < 1/R > | 3.406892 | < 1/R**2 > | 47.548893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695771 |
| 2 | 1s | 23.720097 | .06885285 |
| 3 | 2s | 10.144918 | .02129940 |
| 4 | 3s | 12.570114 | -.02159232 |
| 5 | 4s | 15.577852 | .01061044 |
| 6 | 5s | 40.748939 | .00070527 |
| 7 | 4s | 92.358412 | -.00003441 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091150 | < R2 > | .011156 | < 1/R > | 16.576465 | < 1/R**2 > | 553.850674 |
Total Energy= -434.09334448 a.u.
Kinetic Energy= 434.07998229 a.u.
Potential Energy= -868.17332677 a.u.
Virial Ratio = -2.00003078