(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 1.668839 | .39385545 |
| 2 | 4d | .988490 | -2.09222655 |
| 3 | 5d | .871459 | 2.28778271 |
| 4 | 3d | 3.366689 | .15285028 |
| 5 | 4d | 4.212563 | -.03390030 |
| 6 | 5d | 6.389436 | .00214892 |
| 7 | 3d | 8.175525 | .00680815 |
| ORB.ENERGY,a.u. | -.579030 | ||
| NORM | 1.000001 | < R > | 7.287351 | < R2 > | 60.456679 | < 1/R > | .199169 | < 1/R**2 > | .100152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.211496 | .47191201 |
| 2 | 2p | 2.158180 | -.85109521 |
| 3 | 3p | 2.776859 | -.39304229 |
| 4 | 2p | 10.426978 | .09223949 |
| 5 | 4p | 4.358936 | .05686597 |
| 6 | 3p | 17.755735 | -.00230964 |
| 7 | 5p | 1.581895 | .00067875 |
| 8 | 5p | 48.922799 | -.00005009 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.345527 | < R2 > | 2.085108 | < 1/R > | .996554 | < 1/R**2 > | 2.174938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.158962 | -.40291154 |
| 2 | 1s | 13.005504 | .20701053 |
| 3 | 1s | 67.963330 | .00007473 |
| 4 | 2s | 6.241907 | -.22876151 |
| 5 | 3s | 2.959569 | 1.05978995 |
| 6 | 4s | 5.127543 | .15734212 |
| 7 | 3s | 39.480607 | -.00051677 |
| 8 | 5s | 2.754996 | .03850416 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269857 | < R2 > | 1.837016 | < 1/R > | 1.078668 | < 1/R**2 > | 6.862509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.959025 | -.02075867 |
| 2 | 2p | 3.790169 | .06601736 |
| 3 | 2p | 15.936987 | .15452168 |
| 4 | 3p | 12.497727 | .42314841 |
| 5 | 4p | 9.798692 | .39687415 |
| 6 | 5p | 7.871857 | .12840817 |
| 7 | 5p | 17.655482 | -.00508230 |
| 8 | 3p | 44.655408 | .00005823 |
| 9 | 3p | 2.224718 | .01363074 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374434 | < R2 > | .173416 | < 1/R > | 3.456586 | < 1/R**2 > | 16.581359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440880 | .38646742 |
| 2 | 2s | 7.560129 | -.82715819 |
| 3 | 3s | 6.830298 | -.28882201 |
| 4 | 4s | 30.526300 | .00180058 |
| 5 | 3s | 17.173128 | .00825827 |
| 6 | 2s | 2.743960 | -.05785399 |
| 7 | 4s | 3.701351 | .02910979 |
| 8 | 5s | 2.739017 | .00122118 |
| 9 | 5s | 79.747836 | .00001066 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410719 | < R2 > | .199489 | < 1/R > | 3.567947 | < 1/R**2 > | 52.315003 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572807 | 1.01064330 |
| 2 | 2s | 23.214919 | -.01614141 |
| 3 | 3s | 14.062260 | .01750595 |
| 4 | 4s | 35.477416 | -.00051505 |
| 5 | 4s | 11.846751 | .00190631 |
| 6 | 5s | 44.518938 | .00039357 |
| 7 | 5s | 15.701982 | -.00471960 |
| 8 | 2s | 30.299807 | -.00325186 |
| 9 | 2s | 68.228950 | .00008501 |
| 10 | 5s | 3.524925 | -.00001120 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555867 | < 1/R**2 > | 621.269994 |
Total Energy= -522.08313838 a.u.
Kinetic Energy= 522.08375493 a.u.
Potential Energy= -1044.16689331 a.u.
Virial Ratio = -1.99999882