(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.855596 | .51345077 |
| 2 | 4d | 1.198446 | -2.36673111 |
| 3 | 5d | 1.065763 | 2.45644308 |
| 4 | 3d | 3.865306 | .16271022 |
| 5 | 4d | 5.056223 | -.04640384 |
| 6 | 5d | 15.841168 | .00152104 |
| 7 | 3d | 15.404718 | .00059736 |
| 8 | 4d | .664977 | -.00425662 |
| 9 | 5d | 30.839413 | .00007041 |
| ORB.ENERGY,a.u. | -.566680 | ||
| NORM | .999998 | < R > | 6.024739 | < R2 > | 41.279538 | < 1/R > | .237879 | < 1/R**2 > | .134838 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 57.469937 | -.00005980 |
| 2 | 4p | 2.151331 | .01093228 |
| 3 | 5p | 39.096370 | -.00030131 |
| 4 | 2p | 5.497077 | .38537358 |
| 5 | 2p | 2.116380 | -.34818311 |
| 6 | 3p | 2.845119 | -.78787413 |
| 7 | 2p | 10.379528 | .09666184 |
| 8 | 3p | 15.141152 | -.00308721 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.296968 | < R2 > | 1.932388 | < 1/R > | 1.036974 | < 1/R**2 > | 2.352535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.077190 | -.24834945 |
| 2 | 1s | 13.093821 | .20574654 |
| 3 | 1s | 76.465719 | .00005296 |
| 4 | 2s | 6.036472 | -.33548144 |
| 5 | 3s | 2.866390 | 1.11571066 |
| 6 | 4s | 4.880982 | .12879130 |
| 7 | 3s | 40.806810 | -.00051945 |
| 8 | 5s | 3.230004 | -.09554333 |
| 9 | 2s | 2.269677 | -.00011571 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235966 | < R2 > | 1.735697 | < 1/R > | 1.111084 | < 1/R**2 > | 7.301037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.422209 | .43616461 |
| 2 | 3p | 8.302203 | .49270790 |
| 3 | 5p | 5.960167 | .01535960 |
| 4 | 4p | 6.976520 | .15772259 |
| 5 | 2p | 23.579317 | .00213272 |
| 6 | 5p | 41.851543 | -.00015107 |
| 7 | 3p | 3.110791 | .00166525 |
| 8 | 4p | 126.696009 | .00000157 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373750 | < R2 > | .172677 | < 1/R > | 3.461277 | < 1/R**2 > | 16.620060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330825 | .39159535 |
| 2 | 2s | 7.642700 | -.82731193 |
| 3 | 3s | 7.016720 | -.29744185 |
| 4 | 4s | 26.106083 | .00365584 |
| 5 | 3s | 13.058903 | .01103441 |
| 6 | 4s | 6.255323 | -.03855206 |
| 7 | 5s | 4.126729 | -.00029762 |
| 8 | 4s | 36.791729 | .00056176 |
| 9 | 2s | 47.753700 | -.00009011 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409958 | < R2 > | .198653 | < 1/R > | 3.574172 | < 1/R**2 > | 52.480597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586216 | 1.00955555 |
| 2 | 2s | 22.928932 | -.01618659 |
| 3 | 3s | 15.912055 | .01520141 |
| 4 | 4s | 32.622746 | -.00071720 |
| 5 | 4s | 11.941605 | .00373850 |
| 6 | 5s | 43.222676 | .00038415 |
| 7 | 5s | 14.124794 | -.00252325 |
| 8 | 2s | 31.102238 | -.00307242 |
| 9 | 2s | 64.112847 | .00012049 |
| 10 | 5s | 2.526995 | -.00000289 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009951 | < 1/R > | 17.557196 | < 1/R**2 > | 621.343222 |
Total Energy= -519.55726533 a.u.
Kinetic Energy= 519.56025245 a.u.
Potential Energy= -1039.11751779 a.u.
Virial Ratio = -1.99999425