(1s 2 2s 2 2p 2 5p 1 ) 2 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 4.847632 | .44512538 |
| 2 | 3p | 2.858308 | -3.60403346 |
| 3 | 4p | 2.555718 | 8.20090600 |
| 4 | 5p | 2.479090 | -5.65830034 |
| 5 | 2p | 11.304772 | .03715347 |
| 6 | 5p | 40.599408 | -.00024967 |
| 7 | 4p | 61.650684 | -.00004340 |
| ORB.ENERGY,a.u. | -3.055500 | ||
| NORM | 1.000000 | < R > | 2.869831 | < R2 > | 9.263071 | < 1/R > | .497819 | < 1/R**2 > | .825989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.549041 | 1.18047967 |
| 2 | 3p | 10.004689 | -.21865944 |
| 3 | 4p | 12.834750 | .03721291 |
| 4 | 5p | 3.071458 | .04832016 |
| 5 | 4p | 2.249396 | -.04845277 |
| 6 | 5p | 40.529794 | -.00077844 |
| 7 | 5p | 70.300323 | -.00011037 |
| 8 | 3p | 60.851672 | -.00005140 |
| ORB.ENERGY,a.u. | -24.705000 | ||
| NORM | 1.000000 | < R > | .327965 | < R2 > | .130906 | < 1/R > | 3.859456 | < 1/R**2 > | 20.170742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.057727 | .43783793 |
| 2 | 2s | 7.994557 | -.87213625 |
| 3 | 3s | 8.205446 | -.28697636 |
| 4 | 4s | 30.552166 | .00186037 |
| 5 | 3s | 16.478041 | .01694995 |
| 6 | 5s | 8.270691 | -.02083170 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378520 | < R2 > | .167776 | < 1/R > | 3.884036 | < 1/R**2 > | 61.147420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.067563 | .92683829 |
| 2 | 1s | 25.713461 | .07171630 |
| 3 | 2s | 15.745358 | .01938249 |
| 4 | 3s | 19.683486 | -.01555165 |
| 5 | 5s | 42.306479 | .00077972 |
| 6 | 4s | 99.821321 | -.00003493 |
| 7 | 5s | 12.826712 | .00021013 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085568 | < R2 > | .009809 | < 1/R > | 17.623341 | < 1/R**2 > | 624.983356 |
Total Energy= -433.46541524 a.u.
Kinetic Energy= 433.45029500 a.u.
Potential Energy= -866.91571024 a.u.
Virial Ratio = -2.00003488