(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 5p- electron | |
| 1 | 4p | 1.307544 | 1.41570702 |
| 2 | 5p | 1.003671 | -1.67294935 |
| 3 | 3p | 2.968354 | -.32000042 |
| 4 | 2p | 11.620426 | .01686868 |
| 5 | 2p | 5.687940 | .09656672 |
| 6 | 5p | 2.712345 | -.13699050 |
| 7 | 4p | 15.455498 | .00179985 |
| ORB.ENERGY,a.u. | -.677720 | ||
| NORM | 1.000002 | < R > | 6.184146 | < R2 > | 42.782139 | < 1/R > | .219530 | < 1/R**2 > | .176216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.292309 | .46151965 |
| 2 | 2p | 2.165505 | -.82825435 |
| 3 | 3p | 2.731904 | -.38044341 |
| 4 | 2p | 10.462031 | .09047264 |
| 5 | 4p | 4.901319 | .03243943 |
| 6 | 3p | 17.694984 | -.00231349 |
| 7 | 5p | 1.044615 | .00123927 |
| 8 | 5p | 49.126253 | -.00005300 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.342035 | < R2 > | 2.074474 | < 1/R > | .999751 | < 1/R**2 > | 2.189607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.544714 | -.39213106 |
| 2 | 1s | 12.911674 | .21699700 |
| 3 | 1s | 66.360177 | .00008217 |
| 4 | 2s | 5.839640 | -.23703453 |
| 5 | 3s | 3.018339 | 1.06094191 |
| 6 | 4s | 5.360401 | .11531580 |
| 7 | 3s | 39.100490 | -.00053132 |
| 8 | 5s | 2.835166 | .06222211 |
| 9 | 4s | 1.123010 | -.00040085 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269255 | < R2 > | 1.835359 | < 1/R > | 1.079375 | < 1/R**2 > | 6.873097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.981212 | -.01950868 |
| 2 | 2p | 3.888957 | .06938067 |
| 3 | 2p | 15.952519 | .15390760 |
| 4 | 3p | 12.497668 | .42297881 |
| 5 | 4p | 9.788180 | .39528924 |
| 6 | 5p | 7.864446 | .12568443 |
| 7 | 5p | 17.740897 | -.00509229 |
| 8 | 3p | 44.431230 | .00006013 |
| 9 | 3p | 2.278690 | .01324554 |
| 10 | 4p | .727048 | .00012072 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374446 | < R2 > | .173422 | < 1/R > | 3.456425 | < 1/R**2 > | 16.579718 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441175 | .38642875 |
| 2 | 2s | 7.559584 | -.82714992 |
| 3 | 3s | 6.830615 | -.28880719 |
| 4 | 4s | 30.524964 | .00181642 |
| 5 | 3s | 17.128879 | .00828022 |
| 6 | 2s | 2.741826 | -.05794546 |
| 7 | 4s | 3.701595 | .02909883 |
| 8 | 5s | 2.788341 | .00132347 |
| 9 | 5s | 79.404513 | .00001175 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410742 | < R2 > | .199510 | < 1/R > | 3.567711 | < 1/R**2 > | 52.308434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572686 | 1.01064519 |
| 2 | 2s | 23.220716 | -.01614385 |
| 3 | 3s | 14.058586 | .01751153 |
| 4 | 4s | 35.489984 | -.00051516 |
| 5 | 4s | 11.858804 | .00190315 |
| 6 | 5s | 44.517743 | .00039330 |
| 7 | 5s | 15.699727 | -.00472009 |
| 8 | 2s | 30.292110 | -.00325061 |
| 9 | 2s | 68.184700 | .00008512 |
| 10 | 5s | 3.540124 | -.00001141 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009955 | < 1/R > | 17.555703 | < 1/R**2 > | 621.260849 |
Total Energy= -522.18118212 a.u.
Kinetic Energy= 522.18203260 a.u.
Potential Energy= -1044.36321472 a.u.
Virial Ratio = -1.99999837