(1s 2 2s 2 2p 6 3s 1 5d 1 ) 1 D Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.687769 | 1.53662710 |
| 2 | 4d | 1.603196 | -3.97978885 |
| 3 | 5d | 1.429022 | 2.96797874 |
| 4 | 3d | 3.728949 | .30911687 |
| 5 | 4d | 4.644324 | -.15828232 |
| 6 | 5d | 9.435895 | -.00974877 |
| 7 | 3d | 17.010802 | .00025988 |
| ORB.ENERGY,a.u. | -1.036700 | ||
| NORM | .999999 | < R > | 4.621787 | < R2 > | 24.318272 | < 1/R > | .308398 | < 1/R**2 > | .213253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.216592 | -.05868786 |
| 2 | 1s | 4.367406 | .12338117 |
| 3 | 1s | 14.468217 | .13482519 |
| 4 | 2s | 6.569993 | -.60303036 |
| 5 | 3s | 3.179770 | .77512884 |
| 6 | 4s | 4.107685 | .38937546 |
| 7 | 5s | 7.914672 | -.03555884 |
| 8 | 4s | 27.343489 | .00139540 |
| 9 | 3s | 26.650420 | .00054224 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.169464 | < R2 > | 1.548230 | < 1/R > | 1.186141 | < 1/R**2 > | 8.423313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.056868 | .45562772 |
| 2 | 3p | 8.340336 | .46842892 |
| 3 | 5p | 5.204036 | .00765179 |
| 4 | 4p | 6.926984 | .17352363 |
| 5 | 2p | 19.447260 | .00803032 |
| 6 | 5p | 14.995133 | -.00852610 |
| 7 | 3p | 58.114996 | .00003184 |
| 8 | 4p | 111.672125 | -.00000402 |
| 9 | 3p | 3.805772 | -.00482762 |
| 10 | 4p | 1.207963 | .00002694 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371671 | < R2 > | .170438 | < 1/R > | 3.475534 | < 1/R**2 > | 16.737930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.406642 | .38914217 |
| 2 | 2s | 7.586149 | -.83178447 |
| 3 | 3s | 6.768819 | -.30087849 |
| 4 | 4s | 30.349467 | .00175443 |
| 5 | 3s | 17.289543 | .00864858 |
| 6 | 2s | 4.070909 | -.01758591 |
| 7 | 4s | 1.539316 | -.00020869 |
| 8 | 5s | 73.660598 | .00000985 |
| 9 | 5s | 1.522865 | .00013674 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409229 | < R2 > | .197868 | < 1/R > | 3.580190 | < 1/R**2 > | 52.639071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587577 | 1.00954347 |
| 2 | 2s | 23.116122 | -.01668716 |
| 3 | 3s | 16.364455 | .01504662 |
| 4 | 4s | 28.568863 | -.00071918 |
| 5 | 4s | 11.724998 | .00448805 |
| 6 | 5s | 43.432831 | .00041685 |
| 7 | 5s | 13.418928 | -.00272323 |
| 8 | 2s | 28.671989 | -.00289123 |
| 9 | 2s | 72.394904 | .00005450 |
| 10 | 3s | 2.117880 | -.00001001 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086060 | < R2 > | .009948 | < 1/R > | 17.559119 | < 1/R**2 > | 621.453314 |
Total Energy= -512.25993428 a.u.
Kinetic Energy= 512.23996097 a.u.
Potential Energy= -1024.49989525 a.u.
Virial Ratio = -2.00003899