(1s 2 2s 2 2p 6 3s 2 5d 1 ) 2 D Cl 4+
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 | 1.694790 | .64303821 |
| 2 | 4d | 1.087420 | -3.43042107 |
| 3 | 5d | 1.054391 | 3.44684770 |
| 4 | 3d | 3.766003 | .14275885 |
| 5 | 4d | 5.037300 | -.04464846 |
| 6 | 5d | 15.234102 | .00077940 |
| 7 | 3d | 13.132745 | .00066564 |
| ORB.ENERGY,a.u. | -.547490 | ||
| NORM | .999997 | < R > | 6.246711 | < R2 > | 44.355539 | < 1/R > | .228003 | < 1/R**2 > | .120418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.088252 | -.37916626 |
| 2 | 1s | 12.178206 | .20892521 |
| 3 | 1s | 39.047685 | .00041172 |
| 4 | 2s | 6.170617 | -.21893348 |
| 5 | 3s | 2.497574 | 1.13586608 |
| 6 | 4s | 4.413554 | .24479725 |
| 7 | 3s | 35.248349 | -.00035583 |
| 8 | 5s | 2.804722 | -.20417762 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.331168 | < R2 > | 2.010725 | < 1/R > | 1.027456 | < 1/R**2 > | 6.212187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 7.674547 | .49891561 |
| 2 | 5p | 5.010232 | .00814667 |
| 3 | 4p | 6.295578 | .16281551 |
| 4 | 2p | 22.417211 | .00221380 |
| 5 | 5p | 37.435531 | -.00015875 |
| 6 | 4p | 91.885806 | .00000501 |
| 7 | 3p | 146.553724 | .00000045 |
| 8 | 2p | 9.737013 | .43545563 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .403236 | < R2 > | .201370 | < 1/R > | 3.215829 | < 1/R**2 > | 14.386839 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.724048 | .37845278 |
| 2 | 2s | 6.936739 | -.77059235 |
| 3 | 3s | 6.264258 | -.16416654 |
| 4 | 4s | 27.876179 | .00191527 |
| 5 | 2s | 5.143341 | -.19572110 |
| 6 | 3s | 17.230776 | .00736330 |
| 7 | 4s | 2.874973 | .00006656 |
| 8 | 5s | 58.535239 | .00002334 |
| 9 | 2s | 22.353876 | .00009007 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .438915 | < R2 > | .227871 | < 1/R > | 3.334173 | < 1/R**2 > | 45.699062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580534 | 1.01102141 |
| 2 | 2s | 20.559430 | -.01838863 |
| 3 | 3s | 15.153900 | .01696644 |
| 4 | 4s | 61.401092 | -.00040733 |
| 5 | 4s | 8.566666 | .00129308 |
| 6 | 5s | 78.944803 | .00011779 |
| 7 | 5s | 8.767127 | -.00054086 |
| 8 | 2s | 28.640746 | -.00344482 |
| 9 | 2s | 163.259815 | .00000237 |
| 10 | 3s | 5.587859 | .00009422 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091261 | < R2 > | .011190 | < 1/R > | 16.563727 | < 1/R**2 > | 553.188058 |
Total Energy= -452.95895674 a.u.
Kinetic Energy= 452.95748895 a.u.
Potential Energy= -905.91644570 a.u.
Virial Ratio = -2.00000324