(1s 2 2s 2 2p 1 5d 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 3.071945 | 1.50648592 |
| 2 | 4d | 2.555691 | -4.46616392 |
| 3 | 5d | 2.380204 | 3.70230503 |
| 4 | 3d | 6.863764 | .02485491 |
| 5 | 5d | 1.939159 | -.09971092 |
| 6 | 5d | 19.194069 | -.00052866 |
| 7 | 4d | 1.624389 | .04103356 |
| 8 | 4d | 13.600804 | .00477648 |
| 9 | 3d | 22.264648 | .00030020 |
| ORB.ENERGY,a.u. | -2.929200 | ||
| NORM | 1.000001 | < R > | 2.821434 | < R2 > | 9.036515 | < 1/R > | .493104 | < 1/R**2 > | .501402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.141845 | 1.08122600 |
| 2 | 3p | 8.668073 | -.09352259 |
| 3 | 2p | 17.519036 | .01201800 |
| 4 | 5p | 21.845237 | .00245778 |
| 5 | 5p | 6.757265 | .00051019 |
| ORB.ENERGY,a.u. | -23.599000 | ||
| NORM | 1.000000 | < R > | .342211 | < R2 > | .141580 | < 1/R > | 3.688219 | < 1/R**2 > | 18.373271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.557145 | .38560617 |
| 2 | 2s | 6.581892 | -.81502492 |
| 3 | 3s | 9.407078 | -.28570952 |
| 4 | 4s | 31.579727 | .00121868 |
| 5 | 5s | 18.381465 | -.00898656 |
| 6 | 5s | 7.309560 | .01732101 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396102 | < R2 > | .183484 | < 1/R > | 3.712313 | < 1/R**2 > | 55.692345 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.194271 | .93686939 |
| 2 | 1s | 24.934953 | .06029614 |
| 3 | 2s | 14.989707 | .02016361 |
| 4 | 3s | 18.322487 | -.01491464 |
| 5 | 4s | 82.249195 | -.00006296 |
| 6 | 5s | 39.072312 | .00066485 |
| 7 | 5s | 10.006575 | .00005190 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646712 | < 1/R**2 > | 557.499137 |
Total Energy= -362.35993973 a.u.
Kinetic Energy= 362.35125636 a.u.
Potential Energy= -724.71119609 a.u.
Virial Ratio = -2.00002396