(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 P S +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p | 1.996948 | -.09887454 |
| 2 | 4p | 14.169818 | .00069917 |
| 3 | 4p | .782463 | 1.00795445 |
| 4 | 5p | .543953 | -1.39190038 |
| 5 | 3p | 2.365724 | -.11472912 |
| 6 | 2p | 10.661252 | .00562761 |
| 7 | 2p | 5.115577 | .03550131 |
| ORB.ENERGY,a.u. | -.287230 | ||
| NORM | .999999 | < R > | 10.988665 | < R2 > | 134.788213 | < 1/R > | .114175 | < 1/R**2 > | .031879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 1.261219 | -.52400368 |
| 2 | 3p | 2.209484 | -.58429694 |
| 3 | 2p | 6.905513 | .27511045 |
| 4 | 5p | 1.443333 | .06389542 |
| 5 | 3p | 10.842729 | -.01471428 |
| 6 | 4p | 6.243527 | .11439514 |
| 7 | 5p | .549443 | -.08096280 |
| 8 | 4p | 29.063373 | -.00037909 |
| 9 | 4p | .502266 | .05899112 |
| 10 | 5p | 86.997615 | -.00001044 |
| ORB.ENERGY,a.u. | -.994800 | ||
| NORM | 1.000000 | < R > | 1.763017 | < R2 > | 3.651134 | < 1/R > | .753490 | < 1/R**2 > | 1.250277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.794164 | -.12192413 |
| 2 | 1s | 11.287023 | .21115676 |
| 3 | 1s | 51.485419 | .00014156 |
| 4 | 2s | 5.237526 | -.38986631 |
| 5 | 3s | 2.262619 | .89862413 |
| 6 | 4s | 3.863371 | .15409670 |
| 7 | 5s | 2.095758 | .05501214 |
| 8 | 3s | 32.588122 | -.00062932 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000000 | < R > | 1.598595 | < R2 > | 2.927619 | < 1/R > | .844613 | < 1/R**2 > | 4.110282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.080798 | .42993768 |
| 2 | 3p | 7.049660 | .50739115 |
| 3 | 4p | 5.663450 | .16634495 |
| 4 | 5p | 4.164279 | .00817843 |
| 5 | 2p | 26.899166 | .00118989 |
| 6 | 3p | 27.536622 | .00066091 |
| 7 | 4p | 1.904390 | .00038970 |
| 8 | 5p | 47.136380 | -.00002693 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .440609 | < R2 > | .241521 | < 1/R > | 2.956576 | < 1/R**2 > | 12.217814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.999695 | .36723171 |
| 2 | 2s | 6.340756 | -.76537000 |
| 3 | 3s | 5.384159 | -.16480608 |
| 4 | 4s | 25.532205 | .00217625 |
| 5 | 2s | 5.215266 | -.19276699 |
| 6 | 3s | 16.718350 | .00652271 |
| 7 | 4s | 3.703975 | -.00345595 |
| 8 | 5s | 54.160487 | .00003567 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475068 | < R2 > | .267619 | < 1/R > | 3.077438 | < 1/R**2 > | 38.997521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554461 | 1.01449685 |
| 2 | 2s | 21.755538 | -.02193129 |
| 3 | 3s | 10.718403 | .02053858 |
| 4 | 4s | 64.108841 | -.00032702 |
| 5 | 4s | 11.376571 | .00171286 |
| 6 | 5s | 84.436664 | .00010254 |
| 7 | 5s | 13.172329 | -.00939042 |
| 8 | 2s | 190.963203 | .00000087 |
| 9 | 3s | 1.930563 | -.00011783 |
| 10 | 2s | 1.510501 | .00012012 |
| 11 | 3s | 166.847812 | -.00000060 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567234 | < 1/R**2 > | 488.844292 |
Total Energy= -396.46943639 a.u.
Kinetic Energy= 396.46512845 a.u.
Potential Energy= -792.93456483 a.u.
Virial Ratio = -2.00001087