(1s 2 2s 2 2p 6 3s 2 3p 2 ) 1 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 3p | 20.139242 | -.00145981 |
| 2 | 4p | 2.361469 | -.06462296 |
| 3 | 5p | 5.178893 | -.03151250 |
| 4 | 4p | 76.965531 | .00000707 |
| 5 | 2p | 5.807380 | .36286499 |
| 6 | 2p | 2.281262 | -.30911537 |
| 7 | 3p | 2.670454 | -.70812891 |
| 8 | 2p | 10.865543 | .07432407 |
| ORB.ENERGY,a.u. | -2.634800 | ||
| NORM | 1.000000 | < R > | 1.349062 | < R2 > | 2.099035 | < 1/R > | .996141 | < 1/R**2 > | 2.179909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.382441 | -.51058861 |
| 2 | 1s | 13.439789 | .19054110 |
| 3 | 2s | 6.354349 | -.23115632 |
| 4 | 3s | 3.028898 | 1.19056949 |
| 5 | 4s | 5.209798 | .15867502 |
| 6 | 3s | 19.922361 | .00341514 |
| 7 | 5s | 2.866687 | .06419948 |
| 8 | 4s | 60.102975 | -.00005775 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.267038 | < R2 > | 1.828548 | < 1/R > | 1.081378 | < 1/R**2 > | 6.899508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.439428 | .43383229 |
| 2 | 3p | 8.302351 | .49491504 |
| 3 | 5p | 5.843001 | .01609119 |
| 4 | 4p | 6.958552 | .15847630 |
| 5 | 2p | 23.593028 | .00209192 |
| 6 | 5p | 41.947322 | -.00015751 |
| 7 | 3p | 2.572835 | .00177163 |
| 8 | 4p | 135.249426 | .00000146 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374469 | < R2 > | .173466 | < 1/R > | 3.456437 | < 1/R**2 > | 16.580277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.399724 | .38817121 |
| 2 | 2s | 7.569592 | -.83363946 |
| 3 | 3s | 6.851097 | -.29837162 |
| 4 | 4s | 29.008899 | .00256991 |
| 5 | 3s | 15.578799 | .00812198 |
| 6 | 4s | 5.748359 | -.02226663 |
| 7 | 5s | 3.131378 | -.00021818 |
| 8 | 5s | 60.608397 | .00003403 |
| 9 | 2s | 47.167358 | -.00005688 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410662 | < R2 > | .199425 | < 1/R > | 3.568377 | < 1/R**2 > | 52.326262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585207 | 1.00957348 |
| 2 | 2s | 22.974888 | -.01621053 |
| 3 | 3s | 15.880757 | .01523587 |
| 4 | 4s | 33.140268 | -.00071591 |
| 5 | 4s | 11.963257 | .00372397 |
| 6 | 5s | 43.789718 | .00038193 |
| 7 | 5s | 14.123637 | -.00252134 |
| 8 | 2s | 31.031823 | -.00305549 |
| 9 | 2s | 64.249575 | .00011828 |
| 10 | 5s | 4.691682 | -.00001565 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555846 | < 1/R**2 > | 621.268763 |
Total Energy= -521.70973674 a.u.
Kinetic Energy= 521.62732807 a.u.
Potential Energy= -1043.33706480 a.u.
Virial Ratio = -2.00015798