(1s 2 2s 2 2p 6 5d 1 ) 2 D Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.783921 | 1.49809150 |
| 2 | 4d | 1.562435 | -4.00697240 |
| 3 | 5d | 1.407090 | 3.13626129 |
| 4 | 3d | 4.499546 | .12514216 |
| 5 | 4d | 5.766317 | -.05912260 |
| 6 | 5d | 11.032678 | -.00081743 |
| 7 | 3d | 24.041776 | .00002091 |
| 8 | 4d | .520425 | -.00053799 |
| ORB.ENERGY,a.u. | -1.015100 | ||
| NORM | 1.000005 | < R > | 4.730278 | < R2 > | 25.461150 | < 1/R > | .299563 | < 1/R**2 > | .196208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 58.882683 | .00002143 |
| 2 | 2p | 9.578877 | .45402846 |
| 3 | 3p | 7.658204 | .47562740 |
| 4 | 5p | 5.871028 | .01373875 |
| 5 | 4p | 6.507679 | .15811650 |
| 6 | 2p | 23.103373 | .00236630 |
| 7 | 5p | 17.075849 | -.00096094 |
| 8 | 4p | 47.426736 | .00006624 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .400481 | < R2 > | .198166 | < 1/R > | 3.232044 | < 1/R**2 > | 14.511753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.677631 | .38052459 |
| 2 | 2s | 7.060420 | -.83666059 |
| 3 | 3s | 6.191454 | -.30778844 |
| 4 | 4s | 28.297626 | .00171448 |
| 5 | 3s | 16.902503 | .00849685 |
| 6 | 4s | 3.844824 | -.00127902 |
| 7 | 5s | 3.649274 | .00047418 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438517 | < R2 > | .227322 | < 1/R > | 3.335902 | < 1/R**2 > | 45.731634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580340 | 1.01108650 |
| 2 | 2s | 20.558637 | -.01845222 |
| 3 | 3s | 15.193281 | .01692142 |
| 4 | 4s | 60.492384 | -.00037975 |
| 5 | 4s | 8.576765 | .00159803 |
| 6 | 5s | 77.513222 | .00010113 |
| 7 | 5s | 9.145716 | -.00071503 |
| 8 | 2s | 28.550268 | -.00347350 |
| 9 | 2s | 143.984478 | .00000356 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091258 | < R2 > | .011189 | < 1/R > | 16.564338 | < 1/R**2 > | 553.226899 |
Total Energy= -445.78145333 a.u.
Kinetic Energy= 445.77956719 a.u.
Potential Energy= -891.56102052 a.u.
Virial Ratio = -2.00000423