(1s 2 2s 1 4s 1 ) 1 S Ar 14+
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 | 11.133900 | .13643497 |
| 2 | 2s | 4.199601 | -1.66810125 |
| 3 | 3s | 3.942245 | 4.84402768 |
| 4 | 4s | 3.827017 | -4.00211141 |
| 5 | 5s | 5.927229 | .25349010 |
| 6 | 4s | 9.889830 | -.08535822 |
| 7 | 5s | 41.152873 | .00057265 |
| 8 | 4s | 65.692826 | .00005936 |
| 9 | 5s | 2.218674 | .00047575 |
| ORB.ENERGY,a.u. | -7.382700 | ||
| NORM | .999999 | < R > | 1.526597 | < R2 > | 2.608863 | < 1/R > | .851106 | < 1/R**2 > | 3.385553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 17.191882 | .35550746 |
| 2 | 2s | 4.586947 | -.83653495 |
| 3 | 3s | 10.722672 | -.63931146 |
| 4 | 4s | 6.106917 | .55920783 |
| 5 | 5s | 3.696911 | -.17426716 |
| 6 | 5s | 24.151598 | -.00699178 |
| 7 | 4s | 33.835459 | -.00105404 |
| 8 | 4s | 2.533295 | .04851030 |
| 9 | 2s | 59.042028 | .00008410 |
| 10 | 5s | 2.235134 | -.01344311 |
| 11 | 3s | 1.356915 | .00312760 |
| ORB.ENERGY,a.u. | -32.920000 | ||
| NORM | 1.000000 | < R > | .361864 | < R2 > | .171603 | < 1/R > | 4.238914 | < 1/R**2 > | 72.575333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.362947 | .93872301 |
| 2 | 1s | 27.478536 | .04849197 |
| 3 | 2s | 22.165341 | .01697275 |
| 4 | 3s | 12.549384 | .00108217 |
| 5 | 4s | 71.994548 | -.00039969 |
| 6 | 5s | 95.979808 | .00014606 |
| 7 | 5s | 6.931461 | .00039821 |
| 8 | 4s | 3.494356 | -.00038189 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085207 | < R2 > | .009712 | < 1/R > | 17.673803 | < 1/R**2 > | 627.832286 |
Total Energy= -353.83314183 a.u.
Kinetic Energy= 353.80748746 a.u.
Potential Energy= -707.64062930 a.u.
Virial Ratio = -2.00007251