(1s 2 2s 2 2p 2 5p 1 ) 4 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5.158077 | .39440054 |
| 2 | 3p | 2.862259 | -3.50219844 |
| 3 | 4p | 2.569864 | 8.20384181 |
| 4 | 5p | 2.503495 | -5.68582315 |
| 5 | 2p | 10.612815 | .04936036 |
| 6 | 5p | 35.240900 | -.00052720 |
| 7 | 4p | 51.684318 | -.00012348 |
| 8 | 4p | 1.819803 | -.02596471 |
| ORB.ENERGY,a.u. | -3.085800 | ||
| NORM | .999998 | < R > | 2.842871 | < R2 > | 9.088884 | < 1/R > | .509049 | < 1/R**2 > | .909111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.188419 | 1.14971472 |
| 2 | 3p | 8.265077 | -.17490973 |
| 3 | 2p | 16.580756 | .02259980 |
| 4 | 4p | 17.999010 | .00520760 |
| 5 | 5p | 41.301857 | -.00020016 |
| 6 | 5p | 7.840405 | -.00745246 |
| 7 | 4p | 7.748376 | .00251530 |
| 8 | 3p | .909290 | .00008155 |
| ORB.ENERGY,a.u. | -24.847000 | ||
| NORM | 1.000000 | < R > | .328235 | < R2 > | .130546 | < 1/R > | 3.855222 | < 1/R**2 > | 20.133176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.057969 | .43782394 |
| 2 | 2s | 7.994511 | -.87210457 |
| 3 | 3s | 8.204473 | -.28697876 |
| 4 | 4s | 30.544537 | .00185766 |
| 5 | 3s | 16.490979 | .01691025 |
| 6 | 5s | 8.274389 | -.02079755 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378521 | < R2 > | .167776 | < 1/R > | 3.884016 | < 1/R**2 > | 61.146715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.067563 | .92683775 |
| 2 | 1s | 25.713461 | .07171626 |
| 3 | 2s | 15.745081 | .01938370 |
| 4 | 3s | 19.683269 | -.01555179 |
| 5 | 5s | 42.299068 | .00077990 |
| 6 | 4s | 99.832507 | -.00003496 |
| 7 | 5s | 12.797868 | .00020912 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085568 | < R2 > | .009809 | < 1/R > | 17.623333 | < 1/R**2 > | 624.982795 |
Total Energy= -433.46560290 a.u.
Kinetic Energy= 433.48036199 a.u.
Potential Energy= -866.94596488 a.u.
Virial Ratio = -1.99996595