(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 S Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 1.307409 | 1.48342756 |
| 2 | 5p | 1.005899 | -1.69984007 |
| 3 | 3p | 2.738334 | -.30018214 |
| 4 | 2p | 11.839631 | .01224437 |
| 5 | 2p | 5.887549 | .07520159 |
| 6 | 5p | 2.643311 | -.13779144 |
| 7 | 4p | 15.718147 | .00131625 |
| ORB.ENERGY,a.u. | -.679360 | ||
| NORM | .999999 | < R > | 6.197226 | < R2 > | 42.859900 | < 1/R > | .209395 | < 1/R**2 > | .130879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 1.020963 | -1.67641368 |
| 2 | 5p | 1.378467 | -.89587729 |
| 3 | 4p | 10.544100 | -.17672169 |
| 4 | 2p | 6.562724 | .51009999 |
| 5 | 4p | 1.213621 | 2.45494381 |
| 6 | 5p | 12.162571 | .05713807 |
| 7 | 3p | 16.188837 | -.02038641 |
| 8 | 3p | 2.834984 | -.91923643 |
| 9 | 4p | 75.676874 | .00000595 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | .999998 | < R > | 1.338552 | < R2 > | 2.088650 | < 1/R > | 1.003939 | < 1/R**2 > | 2.204725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.544645 | -.39213972 |
| 2 | 1s | 12.911750 | .21699667 |
| 3 | 1s | 66.373200 | .00008211 |
| 4 | 2s | 5.839650 | -.23703242 |
| 5 | 3s | 3.018301 | 1.06094457 |
| 6 | 4s | 5.360731 | .11531730 |
| 7 | 3s | 39.103854 | -.00053130 |
| 8 | 5s | 2.839026 | .06215227 |
| 9 | 4s | 1.260527 | -.00032568 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269179 | < R2 > | 1.835090 | < 1/R > | 1.079409 | < 1/R**2 > | 6.873256 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.035634 | -.00774992 |
| 2 | 2p | 3.885172 | .06397209 |
| 3 | 2p | 15.934215 | .15446756 |
| 4 | 3p | 12.476746 | .42462987 |
| 5 | 4p | 9.790260 | .39423745 |
| 6 | 5p | 7.876626 | .12736266 |
| 7 | 5p | 17.606461 | -.00565964 |
| 8 | 3p | 43.342628 | .00006666 |
| 9 | 3p | 2.044508 | .00417108 |
| 10 | 4p | .758946 | -.00032892 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374400 | < R2 > | .173372 | < 1/R > | 3.456694 | < 1/R**2 > | 16.581763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441194 | .38643081 |
| 2 | 2s | 7.559571 | -.82715266 |
| 3 | 3s | 6.830724 | -.28880781 |
| 4 | 4s | 30.527760 | .00181802 |
| 5 | 3s | 17.125589 | .00827981 |
| 6 | 2s | 2.742167 | -.05793848 |
| 7 | 4s | 3.703450 | .02907300 |
| 8 | 5s | 2.794861 | .00134729 |
| 9 | 5s | 79.582391 | .00001176 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410739 | < R2 > | .199507 | < 1/R > | 3.567737 | < 1/R**2 > | 52.309143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572689 | 1.01064512 |
| 2 | 2s | 23.220574 | -.01614377 |
| 3 | 3s | 14.058615 | .01751150 |
| 4 | 4s | 35.489022 | -.00051516 |
| 5 | 4s | 11.858277 | .00190330 |
| 6 | 5s | 44.517743 | .00039331 |
| 7 | 5s | 15.699784 | -.00472009 |
| 8 | 2s | 30.292294 | -.00325065 |
| 9 | 2s | 68.185324 | .00008512 |
| 10 | 5s | 3.545919 | -.00001148 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086085 | < R2 > | .009955 | < 1/R > | 17.555707 | < 1/R**2 > | 621.261053 |
Total Energy= -522.18042863 a.u.
Kinetic Energy= 522.18368672 a.u.
Potential Energy= -1044.36411535 a.u.
Virial Ratio = -1.99999376