(1s 2 2s 2 2p 6 3s 2 3p 3 5p 1 ) 5 P S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 2p | 5.816481 | .03909023 |
| 2 | 2p | .217287 | 1.35890544 |
| 3 | 4p | .295304 | -2.07237669 |
| 4 | 5p | .664516 | .18971902 |
| 5 | 3p | 2.094223 | -.12796168 |
| 6 | 5p | 1.710008 | -.07461282 |
| 7 | 3p | 7.970882 | -.01054282 |
| 8 | 4p | 26.151677 | -.00008658 |
| 9 | 3p | .179826 | -.05290567 |
| ORB.ENERGY,a.u. | -.042608 | ||
| NORM | 1.000004 | < R > | 16.848722 | < R2 > | 319.967007 | < 1/R > | .077340 | < 1/R**2 > | .017991 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.046274 | .36818619 |
| 2 | 2p | 1.395126 | -.94699925 |
| 3 | 3p | 9.177393 | -.05081486 |
| 4 | 5p | 6.507685 | .06433009 |
| 5 | 4p | 24.788837 | -.00059476 |
| 6 | 5p | 2.624247 | -.01717369 |
| 7 | 4p | 2.815313 | -.11274729 |
| 8 | 3p | 30.400305 | -.00013631 |
| 9 | 3p | .814423 | -.00125889 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.881040 | < R2 > | 4.130896 | < 1/R > | .704725 | < 1/R**2 > | 1.092998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.056678 | .55876673 |
| 2 | 1s | 12.590150 | .10234240 |
| 3 | 2s | 4.757764 | -.49790741 |
| 4 | 3s | 2.187573 | .54684569 |
| 5 | 4s | 3.807219 | .10172044 |
| 6 | 2s | 7.740454 | -.10058829 |
| 7 | 4s | 24.439576 | .00091532 |
| 8 | 2s | 24.343749 | -.00047424 |
| 9 | 5s | 1.454144 | -.02955026 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.659842 | < R2 > | 3.176458 | < 1/R > | .813140 | < 1/R**2 > | 3.791386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.946218 | .44316524 |
| 2 | 3p | 6.916216 | .50874839 |
| 3 | 4p | 5.544514 | .15037601 |
| 4 | 5p | 4.022605 | .00650920 |
| 5 | 2p | 21.378116 | .00243200 |
| 6 | 3p | 49.785258 | .00002856 |
| 7 | 4p | 1.748113 | .00022188 |
| 8 | 5p | 60.843046 | .00001808 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440821 | < R2 > | .241769 | < 1/R > | 2.955376 | < 1/R**2 > | 12.208978 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924475 | .37010710 |
| 2 | 2s | 6.883744 | -.73720890 |
| 3 | 3s | 6.024136 | -.38884598 |
| 4 | 4s | 4.885086 | -.02956452 |
| 5 | 3s | 15.821922 | .00936479 |
| 6 | 4s | 26.701558 | .00176124 |
| 7 | 5s | 2.578129 | -.00051288 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475541 | < R2 > | .268230 | < 1/R > | 3.074589 | < 1/R**2 > | 38.931778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563578 | 1.01357537 |
| 2 | 2s | 18.224274 | -.01501449 |
| 3 | 3s | 14.022943 | .01729012 |
| 4 | 4s | 62.615942 | -.00035962 |
| 5 | 4s | 6.671913 | .00185257 |
| 6 | 5s | 82.268921 | .00011292 |
| 7 | 5s | 7.109202 | -.00118488 |
| 8 | 2s | 23.677797 | -.00960521 |
| 9 | 2s | 212.291305 | .00000080 |
| 10 | 3s | 1.580127 | -.00001046 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566702 | < 1/R**2 > | 488.818648 |
Total Energy= -397.21491579 a.u.
Kinetic Energy= 397.21578422 a.u.
Potential Energy= -794.43070001 a.u.
Virial Ratio = -1.99999781