(1s 2 2s 2 2p 6 3s 1 4d 1 ) 1 D Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 1.671070 | 2.50947601 |
| 2 | 4d | 1.804410 | -2.97556418 |
| 3 | 5d | 2.623357 | -.21728388 |
| 4 | 4d | 5.633739 | .08209153 |
| 5 | 3d | 7.837294 | .03411183 |
| 6 | 5d | .755897 | -.00019524 |
| 7 | 5d | 31.615305 | -.00003549 |
| 8 | 3d | 14.442362 | .00008914 |
| ORB.ENERGY,a.u. | -1.639400 | ||
| NORM | 1.000000 | < R > | 2.749869 | < R2 > | 8.718912 | < 1/R > | .496388 | < 1/R**2 > | .432358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 22.545579 | -.02541220 |
| 2 | 1s | 8.780770 | .22976726 |
| 3 | 1s | 20.919919 | .05278754 |
| 4 | 2s | 7.555708 | -.58177199 |
| 5 | 3s | 3.175027 | .68722623 |
| 6 | 4s | 3.987167 | .42955028 |
| 7 | 5s | 8.773435 | -.08422906 |
| 8 | 4s | 32.494113 | .00062661 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.174606 | < R2 > | 1.561992 | < 1/R > | 1.180289 | < 1/R**2 > | 8.340881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.061405 | .45509421 |
| 2 | 3p | 8.341847 | .46916100 |
| 3 | 5p | 4.955118 | .00793930 |
| 4 | 4p | 6.903542 | .17439284 |
| 5 | 2p | 19.495422 | .00795912 |
| 6 | 5p | 15.052593 | -.00851032 |
| 7 | 3p | 56.719909 | .00003262 |
| 8 | 4p | 110.948690 | -.00000359 |
| 9 | 3p | 3.528846 | -.00579022 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371843 | < R2 > | .170628 | < 1/R > | 3.474494 | < 1/R**2 > | 16.730048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.387853 | .38974330 |
| 2 | 2s | 7.601420 | -.82328309 |
| 3 | 3s | 6.888227 | -.29266874 |
| 4 | 4s | 28.255671 | .00265514 |
| 5 | 3s | 16.164916 | .00682872 |
| 6 | 2s | 5.028380 | -.01732896 |
| 7 | 4s | 6.224991 | -.01832904 |
| 8 | 5s | 53.453637 | .00007463 |
| 9 | 5s | 4.119209 | -.00111411 |
| 10 | 2s | 46.788083 | -.00006602 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409446 | < R2 > | .198120 | < 1/R > | 3.578598 | < 1/R**2 > | 52.597827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587638 | 1.00954262 |
| 2 | 2s | 23.113591 | -.01668609 |
| 3 | 3s | 16.366294 | .01504487 |
| 4 | 4s | 28.560189 | -.00071927 |
| 5 | 4s | 11.723734 | .00448896 |
| 6 | 5s | 43.422542 | .00041690 |
| 7 | 5s | 13.419242 | -.00272323 |
| 8 | 2s | 28.675593 | -.00289176 |
| 9 | 2s | 72.423075 | .00005446 |
| 10 | 3s | 2.052700 | -.00000960 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086060 | < R2 > | .009948 | < 1/R > | 17.559201 | < 1/R**2 > | 621.457966 |
Total Energy= -512.89663366 a.u.
Kinetic Energy= 512.84301412 a.u.
Potential Energy= -1025.73964778 a.u.
Virial Ratio = -2.00010455