(1s 2 2s 2 2p 2 5d 1 ) 4 P Ar 11+
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 | 3.034902 | 1.58236229 |
| 2 | 4d | 2.604054 | -4.34403645 |
| 3 | 5d | 2.388787 | 3.44288981 |
| 4 | 3d | 7.118430 | .03850742 |
| 5 | 5d | 10.811138 | -.00627585 |
| 6 | 4d | 42.153866 | .00011539 |
| 7 | 5d | 1.818439 | -.01394329 |
| 8 | 5d | 58.014476 | -.00005103 |
| 9 | 4d | .660376 | .00013186 |
| ORB.ENERGY,a.u. | -2.940300 | ||
| NORM | 1.000003 | < R > | 2.810155 | < R2 > | 8.967433 | < 1/R > | .495957 | < 1/R**2 > | .509111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.184079 | 1.14827845 |
| 2 | 3p | 8.270746 | -.17356136 |
| 3 | 2p | 16.485078 | .02328793 |
| 4 | 4p | 17.937130 | .00545412 |
| 5 | 5p | 41.209214 | -.00019951 |
| 6 | 5p | 7.664511 | -.01124365 |
| 7 | 4p | 6.368855 | .00546871 |
| ORB.ENERGY,a.u. | -24.701000 | ||
| NORM | 1.000000 | < R > | .328315 | < R2 > | .130619 | < 1/R > | 3.854499 | < 1/R**2 > | 20.126604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.064628 | .43754132 |
| 2 | 2s | 7.988559 | -.87211781 |
| 3 | 3s | 8.197481 | -.28707822 |
| 4 | 4s | 30.595903 | .00193930 |
| 5 | 3s | 16.479214 | .01636300 |
| 6 | 5s | 8.223649 | -.01977045 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378497 | < R2 > | .167759 | < 1/R > | 3.884295 | < 1/R**2 > | 61.153911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683656 |
| 2 | 1s | 25.714727 | .07171001 |
| 3 | 2s | 15.774651 | .01936704 |
| 4 | 3s | 19.685466 | -.01555028 |
| 5 | 5s | 42.456023 | .00077887 |
| 6 | 4s | 99.603970 | -.00003405 |
| 7 | 5s | 12.681247 | .00022950 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009807 | < 1/R > | 17.624179 | < 1/R**2 > | 625.031071 |
Total Energy= -433.34521656 a.u.
Kinetic Energy= 433.33715908 a.u.
Potential Energy= -866.68237564 a.u.
Virial Ratio = -2.00001859