(1s 2 2s 2 2p 6 3s 1 3d 1 ) 1 D Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 3.689444 | .41741980 |
| 2 | 4d | 4.128165 | -.19137566 |
| 3 | 5d | 7.409453 | -.01795371 |
| 4 | 3d | 9.893784 | .00882433 |
| 5 | 3d | 2.020797 | 1.54515485 |
| 6 | 4d | 2.178118 | -.77992891 |
| ORB.ENERGY,a.u. | -2.929300 | ||
| NORM | 1.000000 | < R > | 1.301404 | < R2 > | 1.981235 | < 1/R > | .926359 | < 1/R**2 > | 1.078846 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.533930 | -.08811978 |
| 2 | 1s | 4.111181 | .12356818 |
| 3 | 1s | 14.806217 | .12820493 |
| 4 | 2s | 6.423537 | -.58020888 |
| 5 | 3s | 2.946768 | .77490386 |
| 6 | 4s | 4.187671 | .38881531 |
| 7 | 5s | 19.967278 | -.00511507 |
| 8 | 4s | 43.726192 | .00010237 |
| 9 | 2s | 1.252274 | .00599934 |
| 10 | 2s | 51.837286 | .00001548 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.197986 | < R2 > | 1.629169 | < 1/R > | 1.158325 | < 1/R**2 > | 8.068143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.075287 | .45361333 |
| 2 | 3p | 8.335287 | .47018329 |
| 3 | 5p | 5.378763 | .00736846 |
| 4 | 4p | 6.913142 | .17425272 |
| 5 | 2p | 19.166426 | .00822730 |
| 6 | 5p | 14.958900 | -.00764719 |
| 7 | 3p | 41.219640 | .00003342 |
| 8 | 4p | 35.689798 | -.00012556 |
| 9 | 3p | 5.322272 | -.00448709 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .372365 | < R2 > | .171239 | < 1/R > | 3.471597 | < 1/R**2 > | 16.708781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.384179 | .38931102 |
| 2 | 2s | 7.593862 | -.83389743 |
| 3 | 3s | 6.742141 | -.30085179 |
| 4 | 4s | 30.449883 | .00185506 |
| 5 | 3s | 16.843260 | .00941573 |
| 6 | 2s | 3.561072 | -.01881244 |
| 7 | 4s | 1.401406 | -.00239571 |
| 8 | 5s | 76.493987 | .00001315 |
| 9 | 5s | 1.604049 | .00214619 |
| 10 | 2s | 134.094866 | -.00000032 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .410291 | < R2 > | .199134 | < 1/R > | 3.572782 | < 1/R**2 > | 52.450274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587822 | 1.00953990 |
| 2 | 2s | 23.106262 | -.01668276 |
| 3 | 3s | 16.372225 | .01503925 |
| 4 | 4s | 28.545484 | -.00071939 |
| 5 | 4s | 11.720746 | .00449090 |
| 6 | 5s | 43.391183 | .00041708 |
| 7 | 5s | 13.420707 | -.00272326 |
| 8 | 2s | 28.685957 | -.00289320 |
| 9 | 2s | 72.522237 | .00005429 |
| 10 | 3s | 1.701285 | -.00000716 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086058 | < R2 > | .009947 | < 1/R > | 17.559443 | < 1/R**2 > | 621.471761 |
Total Energy= -514.54898211 a.u.
Kinetic Energy= 514.13431897 a.u.
Potential Energy= -1028.68330109 a.u.
Virial Ratio = -2.00080653