(1s 2 2s 2 2p 2 3p 1 ) 4 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 2p | 6.220207 | .74904704 |
| 2 | 3p | 4.155206 | -1.34431669 |
| 3 | 2p | 15.422096 | .02170430 |
| 4 | 4p | 9.911578 | -.05622530 |
| 5 | 5p | 23.331256 | .00179335 |
| 6 | 5p | 4.333912 | .04258428 |
| ORB.ENERGY,a.u. | -9.078900 | ||
| NORM | 1.000000 | < R > | .920900 | < R2 > | .972986 | < 1/R > | 1.491346 | < 1/R**2 > | 4.624816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.199549 | 1.16645287 |
| 2 | 3p | 8.228827 | -.18621403 |
| 3 | 2p | 18.017243 | .01586043 |
| 4 | 4p | 14.250233 | .01141685 |
| 5 | 5p | 15.940235 | -.01071322 |
| 6 | 5p | 5.208455 | .00191686 |
| 7 | 3p | 43.990645 | .00006994 |
| ORB.ENERGY,a.u. | -24.520000 | ||
| NORM | 1.000000 | < R > | .329284 | < R2 > | .131578 | < 1/R > | 3.847133 | < 1/R**2 > | 20.064264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.074839 | .43560567 |
| 2 | 2s | 7.971598 | -.87163625 |
| 3 | 3s | 8.157985 | -.28697662 |
| 4 | 4s | 30.607563 | .00187475 |
| 5 | 3s | 16.361983 | .01697246 |
| 6 | 5s | 7.859418 | -.02086470 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .379808 | < R2 > | .169037 | < 1/R > | 3.871034 | < 1/R**2 > | 60.777241 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.064050 | .92755403 |
| 2 | 1s | 25.793904 | .07104542 |
| 3 | 2s | 15.815744 | .01938067 |
| 4 | 3s | 19.786334 | -.01550890 |
| 5 | 5s | 42.233189 | .00071775 |
| 6 | 4s | 95.373602 | -.00003988 |
| 7 | 5s | 14.581283 | .00023711 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085593 | < R2 > | .009815 | < 1/R > | 17.619790 | < 1/R**2 > | 624.783727 |
Total Energy= -439.36427463 a.u.
Kinetic Energy= 439.46370855 a.u.
Potential Energy= -878.82798318 a.u.
Virial Ratio = -1.99977374