(1s 2 2s 2 2p 6 3s 2 5p 1 ) 2 P P 2+
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 | .719719 | -1.38813244 |
| 2 | 4p | .948975 | 2.91582660 |
| 3 | 3p | .723273 | -1.82922224 |
| 4 | 3p | 1.954083 | -.27037931 |
| 5 | 5p | .513454 | .00932803 |
| 6 | 2p | 5.008703 | .09469362 |
| 7 | 2p | 11.544898 | .00667925 |
| 8 | 5p | 9.958914 | -.00667573 |
| ORB.ENERGY,a.u. | -.257270 | ||
| NORM | 1.000003 | < R > | 8.496978 | < R2 > | 81.019895 | < 1/R > | .163105 | < 1/R**2 > | .102524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.193200 | -.22715407 |
| 2 | 1s | 10.964569 | .16919687 |
| 3 | 1s | 60.616897 | .00007172 |
| 4 | 2s | 5.102586 | -.23511458 |
| 5 | 3s | 2.091804 | .92274812 |
| 6 | 4s | 3.370744 | .17676942 |
| 7 | 3s | 32.623923 | -.00064942 |
| 8 | 5s | 1.805493 | .00559969 |
| ORB.ENERGY,a.u. | -1.571700 | ||
| NORM | 1.000000 | < R > | 1.699720 | < R2 > | 3.289491 | < 1/R > | .790616 | < 1/R**2 > | 3.583230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.144578 | .45341515 |
| 2 | 3p | 6.276073 | .49831782 |
| 3 | 4p | 5.023217 | .15198389 |
| 4 | 5p | 3.712945 | .00548757 |
| 5 | 2p | 17.648588 | .00435334 |
| 6 | 5p | 35.251791 | -.00018160 |
| 7 | 4p | 108.527276 | .00000412 |
| 8 | 3p | 224.751711 | .00000041 |
| ORB.ENERGY,a.u. | -6.198300 | ||
| NORM | 1.000000 | < R > | .482149 | < R2 > | .290016 | < 1/R > | 2.711413 | < 1/R**2 > | 10.317322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.234575 | .35899093 |
| 2 | 2s | 5.459637 | -.77334640 |
| 3 | 3s | 4.839165 | -.17030162 |
| 4 | 4s | 19.265974 | .00599847 |
| 5 | 2s | 6.610832 | -.17881600 |
| 6 | 3s | 21.018359 | .00367177 |
| 7 | 5s | 35.111096 | .00024671 |
| 8 | 4s | 3.714307 | -.00080882 |
| 9 | 2s | 65.266436 | .00001094 |
| ORB.ENERGY,a.u. | -8.262700 | ||
| NORM | 1.000000 | < R > | .513937 | < R2 > | .313512 | < 1/R > | 2.840517 | < 1/R**2 > | 33.244857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570246 | 1.01435152 |
| 2 | 2s | 20.441345 | -.02220171 |
| 3 | 3s | 10.611964 | .01919361 |
| 4 | 4s | 58.580676 | -.00051442 |
| 5 | 4s | 10.105345 | .00282632 |
| 6 | 5s | 74.523265 | .00018890 |
| 7 | 5s | 12.474878 | -.00816760 |
| 8 | 2s | 2.716134 | -.00010315 |
| 9 | 2s | 3.246781 | .00023900 |
| 10 | 3s | 122.217162 | -.00000971 |
| ORB.ENERGY,a.u. | -80.167000 |
| NORM | 1.000000 | < R > | .103787 | < R2 > | .014482 | < 1/R > | 14.575131 | < 1/R**2 > | 428.677512 |
Total Energy= -338.82064824 a.u.
Kinetic Energy= 338.82065041 a.u.
Potential Energy= -677.64129866 a.u.
Virial Ratio = -1.99999999