(1s 2 2s 2 2p 6 4s 1 ) 2 S Ar 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 14.269872 | .09254064 |
| 2 | 2s | 5.893861 | -.38045857 |
| 3 | 3s | 2.705071 | 1.53858498 |
| 4 | 4s | 2.343678 | -2.01702719 |
| 5 | 5s | 4.564784 | .14881326 |
| 6 | 5s | 19.821652 | -.00326485 |
| 7 | 2s | 36.105396 | -.00003004 |
| ORB.ENERGY,a.u. | -2.640500 | ||
| NORM | 1.000000 | < R > | 2.291782 | < R2 > | 5.899592 | < 1/R > | .615284 | < 1/R**2 > | 3.020255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.164297 | .45843866 |
| 2 | 3p | 8.310862 | .46509238 |
| 3 | 5p | 6.456734 | .01538856 |
| 4 | 4p | 7.130561 | .16004837 |
| 5 | 2p | 21.819664 | .00405035 |
| 6 | 5p | 15.691274 | -.00362935 |
| 7 | 4p | 57.408052 | .00002245 |
| 8 | 3p | 59.791214 | .00001529 |
| 9 | 5p | 2.544789 | -.00009098 |
| ORB.ENERGY,a.u. | -14.546000 | ||
| NORM | 1.000000 | < R > | .370597 | < R2 > | .169286 | < 1/R > | 3.482861 | < 1/R**2 > | 16.798200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.419165 | .38903242 |
| 2 | 2s | 7.562048 | -.84376725 |
| 3 | 3s | 6.730314 | -.30710829 |
| 4 | 4s | 30.215828 | .00160742 |
| 5 | 3s | 17.751934 | .00823120 |
| 6 | 2s | 7.258207 | .00363159 |
| 7 | 5s | 5.765747 | -.00199839 |
| 8 | 4s | 2.439664 | .00029736 |
| ORB.ENERGY,a.u. | -17.326000 | ||
| NORM | 1.000000 | < R > | .408622 | < R2 > | .197138 | < 1/R > | 3.584246 | < 1/R**2 > | 52.739829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.576980 | 1.01047267 |
| 2 | 2s | 23.141679 | -.01897142 |
| 3 | 3s | 15.583939 | .01583009 |
| 4 | 4s | 65.989878 | -.00052365 |
| 5 | 5s | 11.679683 | .00105355 |
| 6 | 5s | 82.571900 | .00017676 |
| 7 | 4s | 11.695515 | -.00084454 |
| 8 | 2s | 34.420504 | -.00081246 |
| 9 | 3s | 123.646743 | -.00001532 |
| 10 | 2s | 2.145896 | .00000855 |
| ORB.ENERGY,a.u. | -123.610000 |
| NORM | 1.000000 | < R > | .086059 | < R2 > | .009947 | < 1/R > | 17.559341 | < 1/R**2 > | 621.468212 |
Total Energy= -508.60203723 a.u.
Kinetic Energy= 508.60204498 a.u.
Potential Energy= -1017.20408221 a.u.
Virial Ratio = -1.99999998