(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 4 F Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | 1.332684 | .97142102 |
| 2 | 4d | 1.448803 | -.55285029 |
| 3 | 3d | 2.581879 | .96097228 |
| 4 | 4d | 3.172921 | -.46747381 |
| 5 | 5d | 3.723469 | .08329150 |
| 6 | 3d | 8.009695 | .01906439 |
| 7 | 4d | 55.093314 | .00000490 |
| ORB.ENERGY,a.u. | -1.540400 | ||
| NORM | 1.000001 | < R > | 1.616358 | < R2 > | 3.103229 | < 1/R > | .758753 | < 1/R**2 > | .738618 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.299019 | .42524553 |
| 2 | 2p | 1.935755 | -.86866352 |
| 3 | 3p | 2.928978 | -.35620979 |
| 4 | 2p | 10.519481 | .08540714 |
| 5 | 4p | 4.209248 | .06196024 |
| 6 | 3p | 19.050132 | -.00186169 |
| 7 | 4p | 84.143258 | .00000460 |
| 8 | 5p | 2.119636 | .01855117 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.388547 | < R2 > | 2.227543 | < 1/R > | .963816 | < 1/R**2 > | 2.035262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.087417 | -.39267358 |
| 2 | 1s | 13.023286 | .19958716 |
| 3 | 1s | 70.056047 | .00006687 |
| 4 | 2s | 6.379370 | -.21755439 |
| 5 | 3s | 2.900117 | 1.00776764 |
| 6 | 4s | 5.070616 | .18243298 |
| 7 | 3s | 39.648419 | -.00051200 |
| 8 | 5s | 2.685186 | .06676309 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.299302 | < R2 > | 1.929180 | < 1/R > | 1.052739 | < 1/R**2 > | 6.521368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.923789 | -.02086663 |
| 2 | 2p | 3.755805 | .06592416 |
| 3 | 2p | 15.935089 | .15462894 |
| 4 | 3p | 12.497994 | .42326467 |
| 5 | 4p | 9.797960 | .39702065 |
| 6 | 5p | 7.867623 | .12853174 |
| 7 | 5p | 17.666868 | -.00500370 |
| 8 | 3p | 44.848737 | .00005719 |
| 9 | 3p | 2.177210 | .01339497 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374493 | < R2 > | .173496 | < 1/R > | 3.456489 | < 1/R**2 > | 16.581918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.437354 | .38647579 |
| 2 | 2s | 7.561071 | -.82628578 |
| 3 | 3s | 6.828664 | -.28583940 |
| 4 | 4s | 30.561488 | .00176236 |
| 5 | 3s | 17.205857 | .00835092 |
| 6 | 2s | 3.145175 | -.05208072 |
| 7 | 4s | 3.812947 | .01954806 |
| 8 | 5s | 2.938611 | -.00140861 |
| 9 | 4s | 1.926522 | .00202251 |
| 10 | 3s | 1.525869 | -.00149639 |
| 11 | 5s | 80.021197 | .00000895 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410923 | < R2 > | .199736 | < 1/R > | 3.566586 | < 1/R**2 > | 52.280614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.573115 | 1.01063787 |
| 2 | 2s | 23.202771 | -.01613472 |
| 3 | 3s | 14.070516 | .01749287 |
| 4 | 4s | 35.470530 | -.00051475 |
| 5 | 4s | 11.820577 | .00191302 |
| 6 | 5s | 44.511530 | .00039418 |
| 7 | 5s | 15.707179 | -.00471837 |
| 8 | 2s | 30.315441 | -.00325413 |
| 9 | 2s | 68.317461 | .00008481 |
| 10 | 5s | 3.581699 | -.00001008 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086081 | < R2 > | .009953 | < 1/R > | 17.556259 | < 1/R**2 > | 621.292276 |
Total Energy= -522.93835324 a.u.
Kinetic Energy= 523.04738722 a.u.
Potential Energy= -1045.98574047 a.u.
Virial Ratio = -1.99979154