(1s 2 2s 2 2p 6 3s 1 4s 1 ) 1 S Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 13.990436 | .03060858 |
| 2 | 2s | 5.837005 | -.13583143 |
| 3 | 3s | 2.698762 | .66626497 |
| 4 | 4s | 2.156416 | -1.54805325 |
| 5 | 5s | 3.938199 | .17149113 |
| 6 | 3s | 24.472762 | .00034826 |
| 7 | 4s | 57.127310 | -.00002513 |
| ORB.ENERGY,a.u. | -2.198400 | ||
| NORM | 1.000000 | < R > | 2.494386 | < R2 > | 6.665987 | < 1/R > | .442462 | < 1/R**2 > | .480567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.759343 | 3.58777142 |
| 2 | 1s | 24.219698 | .00866262 |
| 3 | 2s | 6.877276 | -1.80922269 |
| 4 | 3s | 1.752986 | -1.43947030 |
| 5 | 4s | 6.181680 | -.88303373 |
| 6 | 5s | 9.986849 | -.09476048 |
| 7 | 5s | 1.985497 | .31776474 |
| 8 | 3s | 39.170759 | -.00016631 |
| 9 | 4s | .776336 | .00043871 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.098790 | < R2 > | 1.452037 | < 1/R > | 1.316052 | < 1/R**2 > | 10.539523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.059654 | .45497383 |
| 2 | 3p | 8.341636 | .46919490 |
| 3 | 5p | 5.088351 | .00789359 |
| 4 | 4p | 6.911137 | .17406288 |
| 5 | 2p | 19.498775 | .00797398 |
| 6 | 5p | 15.084204 | -.00851172 |
| 7 | 3p | 56.804280 | .00003289 |
| 8 | 4p | 110.850075 | -.00000369 |
| 9 | 3p | 3.652791 | -.00545766 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371874 | < R2 > | .170641 | < 1/R > | 3.473934 | < 1/R**2 > | 16.723830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.312483 | .39299793 |
| 2 | 2s | 7.623149 | -.83735936 |
| 3 | 3s | 6.753005 | -.30447061 |
| 4 | 4s | 28.394527 | .00299848 |
| 5 | 3s | 14.587843 | .01082386 |
| 6 | 2s | 4.037507 | -.01621187 |
| 7 | 4s | 2.212366 | -.00053151 |
| 8 | 5s | 57.351498 | .00006440 |
| 9 | 2s | 50.681670 | -.00005834 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409270 | < R2 > | .197935 | < 1/R > | 3.580145 | < 1/R**2 > | 52.640927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587386 | 1.00954588 |
| 2 | 2s | 23.120526 | -.01668950 |
| 3 | 3s | 16.359303 | .01505129 |
| 4 | 4s | 28.544383 | -.00071958 |
| 5 | 4s | 11.724154 | .00448929 |
| 6 | 5s | 43.516257 | .00041650 |
| 7 | 5s | 13.414414 | -.00272378 |
| 8 | 2s | 28.667658 | -.00289101 |
| 9 | 2s | 72.340630 | .00005448 |
| 10 | 3s | 2.046112 | -.00002007 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086062 | < R2 > | .009948 | < 1/R > | 17.558893 | < 1/R**2 > | 621.439426 |
Total Energy= -513.40320028 a.u.
Kinetic Energy= 513.39612787 a.u.
Potential Energy= -1026.79932815 a.u.
Virial Ratio = -2.00001378