(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 F Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 1.540539 | .44155546 |
| 2 | 4d | .962576 | -2.28960656 |
| 3 | 5d | .860895 | 2.43188925 |
| 4 | 3d | 3.114936 | .16757200 |
| 5 | 4d | 3.849380 | -.04705344 |
| 6 | 5d | 6.191300 | .01228562 |
| 7 | 3d | 7.481091 | .01131511 |
| ORB.ENERGY,a.u. | -.571760 | ||
| NORM | 1.000004 | < R > | 7.411093 | < R2 > | 62.700817 | < 1/R > | .199058 | < 1/R**2 > | .102402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.212823 | .47354601 |
| 2 | 2p | 2.165262 | -.85193264 |
| 3 | 3p | 2.763259 | -.39547184 |
| 4 | 2p | 10.441754 | .09170261 |
| 5 | 4p | 4.329953 | .05917929 |
| 6 | 3p | 17.887647 | -.00224737 |
| 7 | 5p | 1.570163 | .00052772 |
| 8 | 5p | 48.596122 | -.00004834 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.345892 | < R2 > | 2.086194 | < 1/R > | .996297 | < 1/R**2 > | 2.174089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.159276 | -.40284823 |
| 2 | 1s | 13.006194 | .20697416 |
| 3 | 1s | 67.887402 | .00007483 |
| 4 | 2s | 6.240460 | -.22875669 |
| 5 | 3s | 2.959188 | 1.05969993 |
| 6 | 4s | 5.129782 | .15737822 |
| 7 | 3s | 39.503026 | -.00051489 |
| 8 | 5s | 2.756810 | .03855935 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269976 | < R2 > | 1.837362 | < 1/R > | 1.078551 | < 1/R**2 > | 6.860910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.960591 | -.02070722 |
| 2 | 2p | 3.789601 | .06601230 |
| 3 | 2p | 15.936963 | .15452114 |
| 4 | 3p | 12.497727 | .42314597 |
| 5 | 4p | 9.798698 | .39687240 |
| 6 | 5p | 7.871855 | .12840721 |
| 7 | 5p | 17.655671 | -.00508232 |
| 8 | 3p | 44.666610 | .00005821 |
| 9 | 3p | 2.226272 | .01361761 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374444 | < R2 > | .173428 | < 1/R > | 3.456540 | < 1/R**2 > | 16.581030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440870 | .38646832 |
| 2 | 2s | 7.560144 | -.82715844 |
| 3 | 3s | 6.830323 | -.28882186 |
| 4 | 4s | 30.527230 | .00180000 |
| 5 | 3s | 17.173830 | .00825830 |
| 6 | 2s | 2.743738 | -.05785830 |
| 7 | 4s | 3.701165 | .02911224 |
| 8 | 5s | 2.738568 | .00122106 |
| 9 | 5s | 79.733673 | .00001062 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410719 | < R2 > | .199489 | < 1/R > | 3.567951 | < 1/R**2 > | 52.315122 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572810 | 1.01064325 |
| 2 | 2s | 23.214733 | -.01614135 |
| 3 | 3s | 14.062373 | .01750580 |
| 4 | 4s | 35.477423 | -.00051504 |
| 5 | 4s | 11.846430 | .00190640 |
| 6 | 5s | 44.518997 | .00039357 |
| 7 | 5s | 15.702036 | -.00471960 |
| 8 | 2s | 30.300062 | -.00325191 |
| 9 | 2s | 68.230277 | .00008501 |
| 10 | 5s | 3.526270 | -.00001119 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555871 | < 1/R**2 > | 621.270224 |
Total Energy= -522.08385925 a.u.
Kinetic Energy= 522.07648728 a.u.
Potential Energy= -1044.16034653 a.u.
Virial Ratio = -2.00001412