(1s 2 2s 2 2p 3 4s 1 ) 3 S Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 14.171183 | .11500777 |
| 2 | 2s | 3.732701 | -1.51463023 |
| 3 | 3s | 3.526280 | 3.48753115 |
| 4 | 4s | 2.976296 | -2.46616633 |
| 5 | 5s | 4.843494 | -.17552560 |
| 6 | 4s | 15.565421 | -.00688014 |
| 7 | 5s | 41.560545 | .00016764 |
| 8 | 5s | 1.051184 | -.00005298 |
| ORB.ENERGY,a.u. | -4.419500 | ||
| NORM | 1.000000 | < R > | 1.879411 | < R2 > | 3.965246 | < 1/R > | .757534 | < 1/R**2 > | 4.469999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.276712 | 1.24767938 |
| 2 | 3p | 9.470529 | -.32339960 |
| 3 | 4p | 11.913067 | .06929941 |
| 4 | 5p | 23.474202 | .00327804 |
| 5 | 4p | 5.032929 | .00404590 |
| 6 | 5p | 23.570212 | -.00012686 |
| 7 | 5p | 4.785875 | -.00098266 |
| ORB.ENERGY,a.u. | -22.086000 | ||
| NORM | 1.000000 | < R > | .337113 | < R2 > | .138119 | < 1/R > | 3.767080 | < 1/R**2 > | 19.303144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.308521 | .41871330 |
| 2 | 2s | 7.634555 | -.89930521 |
| 3 | 3s | 7.496922 | -.30068342 |
| 4 | 4s | 8.412593 | .05013586 |
| 5 | 3s | 19.242868 | .01094630 |
| 6 | 5s | 3.233176 | -.01239058 |
| 7 | 3s | 2.779651 | .00897509 |
| 8 | 4s | 57.587200 | -.00020978 |
| 9 | 3s | 83.146441 | -.00003099 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385132 | < R2 > | .174076 | < 1/R > | 3.813743 | < 1/R**2 > | 59.137977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.205016 | .94392395 |
| 2 | 1s | 26.922417 | .05199724 |
| 3 | 2s | 16.256129 | .01839699 |
| 4 | 3s | 20.040205 | -.01521238 |
| 5 | 4s | 21.355799 | .00423872 |
| 6 | 5s | 44.161999 | .00080343 |
| 7 | 5s | 15.246510 | .00126625 |
| 8 | 4s | 2.498691 | .00357915 |
| 9 | 3s | 2.077936 | -.00320529 |
| 10 | 3s | 75.075232 | -.00004843 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085722 | < R2 > | .009853 | < 1/R > | 17.603036 | < 1/R**2 > | 623.862514 |
Total Energy= -457.62084596 a.u.
Kinetic Energy= 457.59187749 a.u.
Potential Energy= -915.21272345 a.u.
Virial Ratio = -2.00006331