(1s 2 2s 2 3s 1 ) 2 S Ar 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 13.163987 | .25187683 |
| 2 | 2s | 5.306990 | -1.55421891 |
| 3 | 3s | 4.932763 | 2.11153932 |
| 4 | 4s | 10.012489 | -.07732802 |
| 5 | 5s | 18.433676 | -.01047778 |
| 6 | 4s | 35.723688 | .00068293 |
| 7 | 5s | 4.340488 | -.00341255 |
| 8 | 4s | 2.831135 | .00059864 |
| 9 | 3s | 68.726114 | .00001600 |
| ORB.ENERGY,a.u. | -12.133000 | ||
| NORM | 1.000000 | < R > | .874202 | < R2 > | .865811 | < 1/R > | 1.666442 | < 1/R**2 > | 16.674314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.012493 | .41222133 |
| 2 | 2s | 7.469218 | -.81249497 |
| 3 | 3s | 9.860439 | -.28777607 |
| 4 | 5s | 17.898470 | -.01208785 |
| 5 | 4s | 34.908082 | .00242843 |
| 6 | 5s | 50.279982 | -.00039136 |
| 7 | 5s | 12.279673 | -.00702990 |
| 8 | 4s | 4.236843 | -.00055575 |
| ORB.ENERGY,a.u. | -30.397000 | ||
| NORM | 1.000000 | < R > | .365390 | < R2 > | .155988 | < 1/R > | 4.036083 | < 1/R**2 > | 65.610693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.080734 | .93415753 |
| 2 | 1s | 26.756354 | .06449572 |
| 3 | 2s | 18.775366 | .01960126 |
| 4 | 3s | 20.430397 | -.01680926 |
| 5 | 5s | 41.805489 | .00075166 |
| 6 | 4s | 91.164687 | -.00004957 |
| 7 | 5s | 20.994361 | -.00041655 |
| 8 | 4s | 5.199913 | -.00005141 |
| ORB.ENERGY,a.u. | -143.180000 |
| NORM | 1.000000 | < R > | .085237 | < R2 > | .009718 | < 1/R > | 17.667728 | < 1/R**2 > | 627.437584 |
Total Energy= -389.62475883 a.u.
Kinetic Energy= 389.62476142 a.u.
Potential Energy= -779.24952025 a.u.
Virial Ratio = -1.99999999