(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 P P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 4p | .275193 | -.44944372 |
| 2 | 2p | .221858 | 1.11561977 |
| 3 | 5p | 1.021231 | .65810236 |
| 4 | 4p | 2.165955 | -.31728280 |
| 5 | 2p | 6.410236 | .08415308 |
| 6 | 5p | 4.145520 | -.07867146 |
| 7 | 3p | 9.308231 | -.00799481 |
| 8 | 5p | .477302 | -.44263647 |
| 9 | 2p | 36.235884 | .00002228 |
| 10 | 4p | 54.776982 | .00001342 |
| ORB.ENERGY,a.u. | -.254480 | ||
| NORM | 1.000003 | < R > | 5.705763 | < R2 > | 36.333432 | < 1/R > | .221126 | < 1/R**2 > | .132487 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.850110 | .31961261 |
| 2 | 2p | 1.406428 | -.75429204 |
| 3 | 3p | 1.810067 | -.35536746 |
| 4 | 2p | 7.715632 | .11406456 |
| 5 | 3p | 11.075248 | -.01097555 |
| 6 | 4p | 1.182474 | -.00838798 |
| 7 | 5p | 19.222785 | .00100600 |
| 8 | 5p | 1.093638 | .00427012 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.983092 | < R2 > | 4.543328 | < 1/R > | .666092 | < 1/R**2 > | .981162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.419190 | -.14799448 |
| 2 | 1s | 10.613632 | .18582624 |
| 3 | 1s | 39.388379 | .00028890 |
| 4 | 2s | 4.644988 | -.31896512 |
| 5 | 3s | 2.011552 | .91554202 |
| 6 | 4s | 3.495100 | .14919901 |
| 7 | 3s | 28.973132 | -.00060272 |
| 8 | 5s | 1.758362 | .03356338 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.774514 | < R2 > | 3.605370 | < 1/R > | .755467 | < 1/R**2 > | 3.246050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.925675 | .47459823 |
| 2 | 3p | 6.071057 | .49880483 |
| 3 | 4p | 4.806379 | .12615688 |
| 4 | 5p | 3.112385 | .00319762 |
| 5 | 2p | 15.361328 | .00812667 |
| 6 | 4p | 26.423586 | -.00068617 |
| 7 | 3p | 32.845339 | -.00008186 |
| 8 | 3p | .505514 | -.00009923 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .483042 | < R2 > | .291319 | < 1/R > | 2.707907 | < 1/R**2 > | 10.294962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194530 | .36019790 |
| 2 | 2s | 5.445508 | -.77641917 |
| 3 | 3s | 4.878067 | -.17111187 |
| 4 | 5s | 24.180987 | .00151317 |
| 5 | 2s | 6.754793 | -.17542443 |
| 6 | 3s | 15.530297 | .00747412 |
| 7 | 4s | 3.744041 | -.00396107 |
| 8 | 4s | 28.470977 | .00134355 |
| 9 | 5s | 16.806258 | .00004658 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514822 | < R2 > | .314747 | < 1/R > | 2.836004 | < 1/R**2 > | 33.148698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560769 | 1.01529366 |
| 2 | 2s | 19.687304 | -.02550467 |
| 3 | 3s | 11.154662 | .01967298 |
| 4 | 4s | 50.487312 | -.00002039 |
| 5 | 4s | 29.796419 | .00126853 |
| 6 | 2s | 59.715157 | .00003430 |
| 7 | 5s | 13.210035 | -.00537513 |
| 8 | 3s | 6.725152 | .00075454 |
| 9 | 4s | 2.023530 | -.00000375 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103796 | < R2 > | .014485 | < 1/R > | 14.574320 | < 1/R**2 > | 428.640851 |
Total Energy= -339.88551473 a.u.
Kinetic Energy= 339.89946061 a.u.
Potential Energy= -679.78497534 a.u.
Virial Ratio = -1.99995897