(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 1.329178 | 1.39717394 |
| 2 | 5p | 1.011231 | -1.65059877 |
| 3 | 3p | 2.926668 | -.33280816 |
| 4 | 2p | 11.652383 | .01683196 |
| 5 | 2p | 5.733731 | .09701054 |
| 6 | 5p | 2.723678 | -.12928081 |
| 7 | 4p | 15.496135 | .00180187 |
| ORB.ENERGY,a.u. | -.683200 | ||
| NORM | 1.000002 | < R > | 6.125699 | < R2 > | 41.975882 | < 1/R > | .221936 | < 1/R**2 > | .180671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.258955 | .46530127 |
| 2 | 2p | 2.163450 | -.83407195 |
| 3 | 3p | 2.748325 | -.38417990 |
| 4 | 2p | 10.446335 | .09142292 |
| 5 | 4p | 4.654236 | .03752577 |
| 6 | 3p | 17.734563 | -.00230760 |
| 7 | 5p | 1.040588 | .00108787 |
| 8 | 5p | 48.999674 | -.00005174 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.342548 | < R2 > | 2.075996 | < 1/R > | .999245 | < 1/R**2 > | 2.187200 |
| 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 | 2.572621 | -.01286611 |
| 2 | 2p | 3.904474 | .07029565 |
| 3 | 2p | 15.943999 | .15409118 |
| 4 | 3p | 12.497674 | .42243540 |
| 5 | 4p | 9.796054 | .39481877 |
| 6 | 5p | 7.870252 | .12644443 |
| 7 | 5p | 17.692237 | -.00517121 |
| 8 | 3p | 46.338543 | .00005936 |
| 9 | 3p | 2.661424 | .00517691 |
| 10 | 4p | .594680 | .00007460 |
| 11 | 4p | 97.670621 | -.00000201 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374442 | < R2 > | .173418 | < 1/R > | 3.456446 | < 1/R**2 > | 16.579880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441167 | .38642918 |
| 2 | 2s | 7.559585 | -.82715027 |
| 3 | 3s | 6.830603 | -.28880796 |
| 4 | 4s | 30.523079 | .00181743 |
| 5 | 3s | 17.128145 | .00827907 |
| 6 | 2s | 2.741868 | -.05794519 |
| 7 | 4s | 3.701937 | .02909413 |
| 8 | 5s | 2.791252 | .00132969 |
| 9 | 5s | 79.386787 | .00001180 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410742 | < R2 > | .199510 | < 1/R > | 3.567712 | < 1/R**2 > | 52.308462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572686 | 1.01064519 |
| 2 | 2s | 23.220711 | -.01614385 |
| 3 | 3s | 14.058583 | .01751154 |
| 4 | 4s | 35.490024 | -.00051516 |
| 5 | 4s | 11.858773 | .00190316 |
| 6 | 5s | 44.517777 | .00039330 |
| 7 | 5s | 15.699715 | -.00472010 |
| 8 | 2s | 30.292133 | -.00325061 |
| 9 | 2s | 68.184374 | .00008512 |
| 10 | 5s | 3.541436 | -.00001140 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009955 | < 1/R > | 17.555703 | < 1/R**2 > | 621.260848 |
Total Energy= -522.18111737 a.u.
Kinetic Energy= 522.18800739 a.u.
Potential Energy= -1044.36912476 a.u.
Virial Ratio = -1.99998681