(1s 2 2s 2 2p 6 3s 2 3p 3 5p 1 ) 3 P Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 4p | 1.100277 | 1.14104998 |
| 2 | 5p | .794126 | -1.48050117 |
| 3 | 3p | 2.976469 | -.18122176 |
| 4 | 2p | 11.405550 | .01033240 |
| 5 | 2p | 5.921080 | .06012440 |
| 6 | 5p | 2.607060 | -.12382345 |
| 7 | 4p | 34.910843 | -.00006750 |
| ORB.ENERGY,a.u. | -.287040 | ||
| NORM | .999999 | < R > | 7.630689 | < R2 > | 65.032672 | < 1/R > | .169480 | < 1/R**2 > | .086752 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.324316 | .60221653 |
| 2 | 2p | 1.964125 | -1.37320516 |
| 3 | 3p | 10.117954 | -.08822918 |
| 4 | 4p | 5.494611 | .13222539 |
| 5 | 5p | 11.245682 | -.02198769 |
| 6 | 3p | 1.869779 | .15280989 |
| 7 | 4p | 36.707096 | -.00016178 |
| 8 | 5p | .855003 | -.03669586 |
| 9 | 5p | 1.012663 | .02652606 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.393628 | < R2 > | 2.249755 | < 1/R > | .959316 | < 1/R**2 > | 2.013475 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.489704 | .55986738 |
| 2 | 1s | 14.103026 | .11763853 |
| 3 | 2s | 5.223935 | -.65089409 |
| 4 | 3s | 2.877725 | .68997515 |
| 5 | 4s | 5.573670 | .08831539 |
| 6 | 2s | 8.815210 | -.12513981 |
| 7 | 4s | 28.976144 | .00081302 |
| 8 | 2s | 26.175003 | -.00048611 |
| 9 | 5s | 2.024997 | -.02673993 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.305261 | < R2 > | 1.947295 | < 1/R > | 1.047421 | < 1/R**2 > | 6.453229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.811602 | .46376385 |
| 2 | 3p | 8.132715 | .46800324 |
| 3 | 4p | 6.745162 | .15210742 |
| 4 | 5p | 5.211400 | .00872482 |
| 5 | 2p | 16.556654 | .01661234 |
| 6 | 5p | 14.585392 | -.00786543 |
| 7 | 4p | 59.936368 | .00002667 |
| 8 | 3p | 2.143214 | .00043435 |
| 9 | 3p | 23.023673 | -.00109271 |
| 10 | 2p | 116.571193 | -.00000105 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374836 | < R2 > | .173826 | < 1/R > | 3.453571 | < 1/R**2 > | 16.555674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463474 | .38501327 |
| 2 | 2s | 7.567272 | -.81206158 |
| 3 | 3s | 6.890025 | -.27991258 |
| 4 | 4s | 30.718119 | .00159582 |
| 5 | 3s | 17.536895 | .00794207 |
| 6 | 2s | 3.938438 | -.05934369 |
| 7 | 5s | 3.225133 | -.02007981 |
| 8 | 4s | 2.886614 | .02548620 |
| 9 | 3s | 1.643252 | -.00033442 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411354 | < R2 > | .200188 | < 1/R > | 3.562749 | < 1/R**2 > | 52.176717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581177 | 1.00986205 |
| 2 | 2s | 22.367141 | -.01729007 |
| 3 | 3s | 14.944401 | .01750936 |
| 4 | 4s | 51.740660 | -.00051338 |
| 5 | 4s | 12.530117 | .00290128 |
| 6 | 5s | 61.824552 | .00011588 |
| 7 | 5s | 16.000502 | -.00407431 |
| 8 | 2s | 34.515239 | -.00228580 |
| 9 | 2s | 86.926114 | .00004121 |
| 10 | 5s | 3.565327 | -.00001896 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086093 | < R2 > | .009957 | < 1/R > | 17.554696 | < 1/R**2 > | 621.205541 |
Total Energy= -524.15694186 a.u.
Kinetic Energy= 524.15220446 a.u.
Potential Energy= -1048.30914632 a.u.
Virial Ratio = -2.00000904