(1s 2 2s 2 2p 6 3s 2 3p 1 ) 2 P Ar 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 2p | 5.519780 | .39187247 |
| 2 | 2p | 2.227770 | -.31058253 |
| 3 | 3p | 2.838365 | -.81977350 |
| 4 | 2p | 10.551668 | .09187260 |
| 5 | 3p | 18.986703 | -.00198741 |
| 6 | 4p | 1.354463 | .00025187 |
| 7 | 4p | 67.563687 | .00000457 |
| 8 | 5p | 50.693807 | -.00001834 |
| ORB.ENERGY,a.u. | -3.313300 | ||
| NORM | 1.000000 | < R > | 1.291340 | < R2 > | 1.915151 | < 1/R > | 1.041891 | < 1/R**2 > | 2.374417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.434793 | -.38664693 |
| 2 | 1s | 13.235920 | .18898101 |
| 3 | 1s | 32.094586 | .00071788 |
| 4 | 2s | 6.497579 | -.30132582 |
| 5 | 3s | 2.993043 | 1.12285032 |
| 6 | 4s | 4.795684 | .19575199 |
| 7 | 5s | 37.563930 | .00038770 |
| 8 | 5s | 2.097171 | .00138165 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.233096 | < R2 > | 1.727281 | < 1/R > | 1.113965 | < 1/R**2 > | 7.340995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.501878 | .42956648 |
| 2 | 3p | 8.327877 | .50164670 |
| 3 | 5p | 5.496065 | .00960288 |
| 4 | 4p | 6.874017 | .16305034 |
| 5 | 2p | 23.420126 | .00195379 |
| 6 | 5p | 35.813776 | -.00025834 |
| 7 | 4p | 41.712565 | -.00012089 |
| 8 | 4p | 2.840873 | .00040484 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .373664 | < R2 > | .172579 | < 1/R > | 3.461773 | < 1/R**2 > | 16.623727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.334824 | .39148207 |
| 2 | 2s | 7.654969 | -.82702834 |
| 3 | 3s | 6.665504 | -.30035177 |
| 4 | 4s | 30.262874 | .00152250 |
| 5 | 3s | 17.758442 | .00958100 |
| 6 | 2s | 4.392341 | -.02238947 |
| 7 | 4s | 7.227872 | .00522811 |
| 8 | 5s | 11.092257 | -.01121321 |
| 9 | 2s | 101.125972 | .00000122 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409893 | < R2 > | .198579 | < 1/R > | 3.574662 | < 1/R**2 > | 52.493434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585136 | 1.00964488 |
| 2 | 2s | 23.233132 | -.01670515 |
| 3 | 3s | 16.284980 | .01511124 |
| 4 | 4s | 26.686209 | -.00076909 |
| 5 | 4s | 12.504833 | .00418552 |
| 6 | 5s | 44.201762 | .00035459 |
| 7 | 5s | 14.369475 | -.00245955 |
| 8 | 2s | 28.215090 | -.00293694 |
| 9 | 2s | 71.352286 | .00005572 |
| 10 | 5s | 9.578144 | .00007855 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009952 | < 1/R > | 17.557131 | < 1/R**2 > | 621.339519 |
Total Energy= -518.99328109 a.u.
Kinetic Energy= 518.99328539 a.u.
Potential Energy= -1037.98656647 a.u.
Virial Ratio = -1.99999999