(1s 2 2s 2 2p 6 3s 2 3p 4 5s 1 ) 2 P Ar +
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 | 14.658116 | .02006828 |
| 2 | 2s | 5.217960 | -.12701330 |
| 3 | 3s | 4.679263 | .03046032 |
| 4 | 4s | 1.138245 | -.66055892 |
| 5 | 5s | .677265 | 1.21245205 |
| 6 | 2s | 2.003599 | .23870894 |
| 7 | 3s | .416611 | .13996645 |
| 8 | 4s | 15.685217 | -.00164925 |
| 9 | 2s | .398487 | -.22912601 |
| ORB.ENERGY,a.u. | -.363900 | ||
| NORM | 1.000000 | < R > | 8.549303 | < R2 > | 81.808344 | < 1/R > | .152610 | < 1/R**2 > | .173949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.924214 | .90707481 |
| 2 | 2p | 1.988619 | -1.16039803 |
| 3 | 3p | 4.605442 | -.45184414 |
| 4 | 2p | 10.524253 | .08038250 |
| 5 | 3p | 18.496599 | -.00178126 |
| 6 | 5p | 2.171731 | -.05351315 |
| 7 | 4p | 3.252708 | -.02307432 |
| 8 | 3p | 1.943581 | .00109159 |
| 9 | 5p | 46.370620 | -.00003623 |
| 10 | 4p | .701817 | -.00014933 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.474356 | < R2 > | 2.532941 | < 1/R > | .908865 | < 1/R**2 > | 1.819742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.630099 | 1.94434740 |
| 2 | 1s | 17.102352 | .04213774 |
| 3 | 2s | 6.437536 | -1.12381907 |
| 4 | 3s | 1.691787 | -.11663538 |
| 5 | 4s | 5.412835 | -.32561243 |
| 6 | 5s | 8.606123 | -.10427706 |
| 7 | 2s | .332936 | .00477632 |
| 8 | 3s | 53.050819 | -.00034452 |
| 9 | 4s | 76.186508 | .00010237 |
| 10 | 2s | 139.445994 | -.00000553 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.341099 | < R2 > | 2.064807 | < 1/R > | 1.018428 | < 1/R**2 > | 6.086373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897878 | .47257518 |
| 2 | 3p | 8.064387 | .47426821 |
| 3 | 4p | 6.705080 | .14353808 |
| 4 | 5p | 5.300697 | .00961471 |
| 5 | 2p | 20.011680 | .00691795 |
| 6 | 5p | 15.406259 | -.00705325 |
| 7 | 3p | 48.485215 | .00003746 |
| 8 | 3p | 2.279469 | .00146403 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375314 | < R2 > | .174373 | < 1/R > | 3.450549 | < 1/R**2 > | 16.531438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.487696 | .38370001 |
| 2 | 2s | 7.545731 | -.80330678 |
| 3 | 3s | 6.937692 | -.26222657 |
| 4 | 4s | 30.254019 | .00164567 |
| 5 | 3s | 17.878959 | .00714500 |
| 6 | 2s | 4.315202 | -.08029177 |
| 7 | 5s | 3.269441 | -.01216286 |
| 8 | 4s | 2.939981 | .01467738 |
| 9 | 5s | 61.519266 | .00000905 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411769 | < R2 > | .200653 | < 1/R > | 3.559427 | < 1/R**2 > | 52.088860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580810 | 1.00986023 |
| 2 | 2s | 22.411814 | -.01728761 |
| 3 | 3s | 14.919889 | .01754169 |
| 4 | 4s | 51.128508 | -.00050658 |
| 5 | 4s | 12.552533 | .00288792 |
| 6 | 5s | 60.164946 | .00012284 |
| 7 | 5s | 16.004863 | -.00409515 |
| 8 | 2s | 34.437277 | -.00228502 |
| 9 | 2s | 85.529303 | .00004380 |
| 10 | 5s | 3.953121 | -.00002754 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554037 | < 1/R**2 > | 621.169370 |
Total Energy= -525.48489381 a.u.
Kinetic Energy= 525.48175845 a.u.
Potential Energy= -1050.96665225 a.u.
Virial Ratio = -2.00000597