(1s 2 2s 2 2p 1 5d 1 ) 3 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 3.088578 | 1.49284235 |
| 2 | 4d | 2.558154 | -4.44175200 |
| 3 | 5d | 2.383129 | 3.68909052 |
| 4 | 3d | 6.864614 | .03333655 |
| 5 | 5d | 1.918662 | -.08238862 |
| 6 | 5d | 10.148263 | -.00565213 |
| 7 | 4d | 31.287533 | .00006767 |
| 8 | 4d | 1.568662 | .02895018 |
| 9 | 3d | 39.900575 | .00001382 |
| ORB.ENERGY,a.u. | -2.933200 | ||
| NORM | 1.000000 | < R > | 2.818335 | < R2 > | 9.017050 | < 1/R > | .493460 | < 1/R**2 > | .500672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.136209 | 1.07788332 |
| 2 | 3p | 8.579118 | -.09128751 |
| 3 | 2p | 17.320575 | .01296381 |
| 4 | 5p | 21.942485 | .00246711 |
| 5 | 5p | 6.193312 | .00124296 |
| 6 | 4p | 1.505211 | -.00008503 |
| ORB.ENERGY,a.u. | -23.603000 | ||
| NORM | 1.000000 | < R > | .342239 | < R2 > | .141626 | < 1/R > | 3.688214 | < 1/R**2 > | 18.373692 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.557179 | .38560528 |
| 2 | 2s | 6.581858 | -.81502657 |
| 3 | 3s | 9.407164 | -.28570155 |
| 4 | 4s | 31.583020 | .00121798 |
| 5 | 5s | 18.380430 | -.00899147 |
| 6 | 5s | 7.309564 | .01732030 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396102 | < R2 > | .183484 | < 1/R > | 3.712316 | < 1/R**2 > | 55.692459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.194219 | .93683768 |
| 2 | 1s | 24.931470 | .06032774 |
| 3 | 2s | 14.983692 | .02016707 |
| 4 | 3s | 18.316673 | -.01491774 |
| 5 | 4s | 82.277943 | -.00006291 |
| 6 | 5s | 39.068956 | .00066512 |
| 7 | 5s | 9.942018 | .00005095 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646713 | < 1/R**2 > | 557.499156 |
Total Energy= -362.35992729 a.u.
Kinetic Energy= 362.35527113 a.u.
Potential Energy= -724.71519842 a.u.
Virial Ratio = -2.00001285