(1s 2 2s 2 2p 6 3s 2 3p 3 ) 2 P S +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 5.123326 | .36890115 |
| 2 | 2p | 1.207864 | -.84265034 |
| 3 | 3p | 2.522193 | -.23481121 |
| 4 | 2p | 13.021396 | .01616614 |
| 5 | 4p | 8.582309 | -.04559067 |
| 6 | 5p | 38.379519 | -.00011157 |
| 7 | 5p | 1.186814 | -.00685957 |
| 8 | 3p | 34.172897 | -.00004884 |
| ORB.ENERGY,a.u. | -.849590 | ||
| NORM | 1.000000 | < R > | 1.998547 | < R2 > | 4.764974 | < 1/R > | .678725 | < 1/R**2 > | 1.047595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.268079 | -.35334571 |
| 2 | 1s | 12.044495 | .15392831 |
| 3 | 2s | 5.946792 | -.17948599 |
| 4 | 3s | 2.273064 | .93697762 |
| 5 | 4s | 4.123409 | .22532088 |
| 6 | 3s | 16.912768 | .00400780 |
| 7 | 5s | 1.986101 | .10365297 |
| 8 | 4s | 54.768338 | -.00004507 |
| 9 | 4s | .579239 | .00013193 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000000 | < R > | 1.649352 | < R2 > | 3.136619 | < 1/R > | .819291 | < 1/R**2 > | 3.857570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.091033 | .42848002 |
| 2 | 3p | 7.049463 | .50880632 |
| 3 | 4p | 5.640403 | .16717169 |
| 4 | 5p | 3.850899 | .00926187 |
| 5 | 2p | 27.333520 | .00112776 |
| 6 | 3p | 27.715606 | .00065720 |
| 7 | 4p | 1.496829 | .00200339 |
| 8 | 5p | 44.838889 | -.00001747 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .441537 | < R2 > | .242940 | < 1/R > | 2.953045 | < 1/R**2 > | 12.195090 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.000463 | .36700147 |
| 2 | 2s | 6.340027 | -.76606834 |
| 3 | 3s | 5.366807 | -.16504496 |
| 4 | 4s | 25.874307 | .00185499 |
| 5 | 2s | 5.201315 | -.19270175 |
| 6 | 3s | 16.794356 | .00700643 |
| 7 | 4s | 1.695657 | -.00021888 |
| 8 | 5s | 4.074078 | -.00287376 |
| 9 | 5s | 108.173037 | -.00000433 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475355 | < R2 > | .267994 | < 1/R > | 3.075736 | < 1/R**2 > | 38.958366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563739 | 1.01357258 |
| 2 | 2s | 18.212682 | -.01501451 |
| 3 | 3s | 14.029913 | .01728087 |
| 4 | 4s | 62.569487 | -.00036042 |
| 5 | 4s | 6.679879 | .00185649 |
| 6 | 5s | 82.099078 | .00011332 |
| 7 | 5s | 7.110303 | -.00118641 |
| 8 | 2s | 23.681630 | -.00960692 |
| 9 | 2s | 214.941096 | .00000079 |
| 10 | 3s | 11.753197 | .00000279 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097146 | < R2 > | .012685 | < 1/R > | 15.566932 | < 1/R**2 > | 488.829761 |
Total Energy= -397.15662791 a.u.
Kinetic Energy= 396.78635700 a.u.
Potential Energy= -793.94298491 a.u.
Virial Ratio = -2.00093317