(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 14.471692 | .03526895 |
| 2 | 2s | 5.294348 | -.18427559 |
| 3 | 3s | 3.068009 | .60925938 |
| 4 | 4s | 1.465109 | -2.08338232 |
| 5 | 5s | 1.073639 | 1.44370033 |
| 6 | 4s | 3.868161 | -.23536472 |
| 7 | 3s | 1.133801 | .94235811 |
| 8 | 5s | 20.648282 | -.00121070 |
| ORB.ENERGY,a.u. | -.738560 | ||
| NORM | 1.000002 | < R > | 5.694363 | < R2 > | 36.179528 | < 1/R > | .235663 | < 1/R**2 > | .485053 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.214956 | .48250326 |
| 2 | 2p | 2.163269 | -.87032684 |
| 3 | 3p | 2.828315 | -.40268180 |
| 4 | 2p | 10.510342 | .08915984 |
| 5 | 4p | 4.369057 | .08190026 |
| 6 | 3p | 18.358621 | -.00203105 |
| 7 | 5p | .871850 | -.00233155 |
| 8 | 5p | 47.000275 | -.00004458 |
| 9 | 4p | .714021 | .00203594 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.343680 | < R2 > | 2.079073 | < 1/R > | .997868 | < 1/R**2 > | 2.180167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.641710 | 2.37190537 |
| 2 | 1s | 18.206503 | .03246410 |
| 3 | 2s | 6.496490 | -1.29884012 |
| 4 | 3s | 1.736190 | -.51733228 |
| 5 | 4s | 5.545480 | -.43649299 |
| 6 | 5s | 8.775849 | -.11317403 |
| 7 | 4s | 1.792124 | .15783866 |
| 8 | 3s | 61.775569 | -.00020143 |
| 9 | 5s | .996233 | .00457582 |
| 10 | 4s | 95.829097 | .00006993 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.267018 | < R2 > | 1.829100 | < 1/R > | 1.081544 | < 1/R**2 > | 6.902490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.943663 | -.02063646 |
| 2 | 2p | 3.788272 | .06608236 |
| 3 | 2p | 15.937154 | .15449785 |
| 4 | 3p | 12.497598 | .42311896 |
| 5 | 4p | 9.799093 | .39682096 |
| 6 | 5p | 7.873258 | .12840054 |
| 7 | 5p | 17.661732 | -.00509528 |
| 8 | 3p | 44.775489 | .00005794 |
| 9 | 3p | 2.203189 | .01349743 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374441 | < R2 > | .173415 | < 1/R > | 3.456440 | < 1/R**2 > | 16.579769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441022 | .38648247 |
| 2 | 2s | 7.560439 | -.82709407 |
| 3 | 3s | 6.832941 | -.28879385 |
| 4 | 4s | 30.587696 | .00178633 |
| 5 | 3s | 17.156414 | .00831404 |
| 6 | 2s | 2.745112 | -.05790585 |
| 7 | 4s | 3.683134 | .02939684 |
| 8 | 5s | 2.373662 | .00110498 |
| 9 | 5s | 80.672775 | .00000993 |
| 10 | 3s | .910387 | -.00028371 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410696 | < R2 > | .199464 | < 1/R > | 3.568136 | < 1/R**2 > | 52.320246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572743 | 1.01064419 |
| 2 | 2s | 23.217005 | -.01614236 |
| 3 | 3s | 14.060412 | .01750875 |
| 4 | 4s | 35.463992 | -.00051511 |
| 5 | 4s | 11.850094 | .00190555 |
| 6 | 5s | 44.522495 | .00039346 |
| 7 | 5s | 15.701617 | -.00471949 |
| 8 | 2s | 30.297866 | -.00325161 |
| 9 | 2s | 68.218813 | .00008504 |
| 10 | 5s | 4.600197 | -.00001152 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555787 | < 1/R**2 > | 621.265291 |
Total Energy= -522.24837263 a.u.
Kinetic Energy= 522.24205943 a.u.
Potential Energy= -1044.49043206 a.u.
Virial Ratio = -2.00001209