(1s 2 2s 2 2p 2 5p 1 ) 2 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 4.448350 | .31511691 |
| 2 | 3p | 2.238192 | -2.95899914 |
| 3 | 4p | 1.975277 | 7.26259913 |
| 4 | 5p | 1.914057 | -5.09431176 |
| 5 | 2p | 8.932371 | .04352979 |
| 6 | 5p | 28.219743 | -.00070339 |
| 7 | 4p | 1.440895 | -.13759262 |
| 8 | 4p | 42.062495 | -.00015846 |
| 9 | 5p | 1.107053 | .00394906 |
| ORB.ENERGY,a.u. | -1.774500 | ||
| NORM | 1.000006 | < R > | 3.707751 | < R2 > | 15.455596 | < 1/R > | .389271 | < 1/R**2 > | .537860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.789179 | 1.14413471 |
| 2 | 3p | 6.776480 | -.16917795 |
| 3 | 2p | 14.086418 | .02372406 |
| 4 | 4p | 16.054890 | .00682474 |
| 5 | 5p | 25.596569 | -.00052863 |
| 6 | 5p | 1.224914 | .00009406 |
| 7 | 4p | 5.934328 | -.00302729 |
| 8 | 3p | 41.557545 | .00005520 |
| ORB.ENERGY,a.u. | -15.246000 | ||
| NORM | 1.000000 | < R > | .409464 | < R2 > | .203658 | < 1/R > | 3.100013 | < 1/R**2 > | 13.069454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.923990 | .41174315 |
| 2 | 2s | 6.452692 | -.85460452 |
| 3 | 3s | 6.628759 | -.28047983 |
| 4 | 4s | 25.028461 | .00206647 |
| 5 | 3s | 14.171039 | .01729590 |
| 6 | 5s | 6.679091 | -.02732042 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467151 | < R2 > | .255874 | < 1/R > | 3.134164 | < 1/R**2 > | 39.884422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.109483 | .92170928 |
| 2 | 1s | 21.589527 | .07719878 |
| 3 | 2s | 13.447407 | .01933362 |
| 4 | 3s | 16.735101 | -.01553648 |
| 5 | 5s | 35.607044 | .00099150 |
| 6 | 4s | 86.816908 | -.00003331 |
| 7 | 5s | 11.646385 | .00051118 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103192 | < R2 > | .014278 | < 1/R > | 14.627826 | < 1/R**2 > | 431.072783 |
Total Energy= -293.44929253 a.u.
Kinetic Energy= 293.46871980 a.u.
Potential Energy= -586.91801233 a.u.
Virial Ratio = -1.99993380