(1s 2 2s 2 2p 1 4d 1 ) 1 F Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 3.605787 | 1.49883137 |
| 2 | 4d | 3.228657 | -1.99220460 |
| 3 | 3d | 10.152449 | .01271015 |
| 4 | 5d | 30.364886 | -.00013674 |
| 5 | 4d | 18.873240 | .00013321 |
| 6 | 5d | 2.189631 | .00321349 |
| 7 | 3d | 1.390161 | -.00158192 |
| 8 | 5d | 9.134435 | .00171744 |
| ORB.ENERGY,a.u. | -5.319500 | ||
| NORM | 1.000000 | < R > | 1.598413 | < R2 > | 2.926406 | < 1/R > | .827747 | < 1/R**2 > | 1.114203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.618011 | 1.09173244 |
| 2 | 3p | 9.041939 | -.10282375 |
| 3 | 2p | 19.252618 | .01003402 |
| 4 | 5p | 23.829433 | .00178685 |
| 5 | 5p | 4.605520 | .00142215 |
| 6 | 2p | 82.232452 | -.00000241 |
| ORB.ENERGY,a.u. | -26.811000 | ||
| NORM | 1.000000 | < R > | .319974 | < R2 > | .123778 | < 1/R > | 3.942899 | < 1/R**2 > | 20.980876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.372758 | .39026478 |
| 2 | 2s | 7.029080 | -.81685492 |
| 3 | 3s | 10.029855 | -.28727884 |
| 4 | 4s | 32.993113 | .00119931 |
| 5 | 5s | 19.693459 | -.00808901 |
| 6 | 5s | 7.765914 | .01671669 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371789 | < R2 > | .161634 | < 1/R > | 3.959520 | < 1/R**2 > | 63.338031 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.206550 | .93975788 |
| 2 | 1s | 26.435694 | .05676089 |
| 3 | 2s | 15.872714 | .01998360 |
| 4 | 3s | 19.392660 | -.01406625 |
| 5 | 4s | 86.476099 | -.00006228 |
| 6 | 5s | 41.298183 | .00061144 |
| 7 | 4s | 8.561344 | .00004402 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085400 | < R2 > | .009763 | < 1/R > | 17.645932 | < 1/R**2 > | 626.236100 |
Total Energy= -410.61368154 a.u.
Kinetic Energy= 410.52944969 a.u.
Potential Energy= -821.14313123 a.u.
Virial Ratio = -2.00020518