(1s 2 2s 2 2p 1 4p 1 ) 1 P C 0
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 | 2p | 3.162668 | .02632507 |
| 2 | 3p | .488388 | -.77310830 |
| 3 | 4p | .302227 | 1.36237956 |
| 4 | 5p | .285435 | -.10781668 |
| 5 | 2p | 1.405518 | .09691781 |
| 6 | 5p | 4.111536 | .00466874 |
| 7 | 3p | 6.392069 | -.00133881 |
| ORB.ENERGY,a.u. | -.045651 | ||
| NORM | .999999 | < R > | 15.646377 | < R2 > | 277.065648 | < 1/R > | .085535 | < 1/R**2 > | .019766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.585721 | .79872151 |
| 2 | 2p | 2.532944 | .24327386 |
| 3 | 2p | 6.509036 | .01073861 |
| 4 | 3p | 2.729972 | -.05145137 |
| 5 | 4p | 1.513402 | .04385967 |
| 6 | 4p | 10.472307 | -.00062983 |
| ORB.ENERGY,a.u. | -.780480 | ||
| NORM | 1.000000 | < R > | 1.471778 | < R2 > | 2.686179 | < 1/R > | .885485 | < 1/R**2 > | 1.103963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579269 | .24019703 |
| 2 | 2s | 1.549948 | -.76348409 |
| 3 | 3s | 2.868112 | -.27152812 |
| 4 | 4s | 11.564402 | .00205580 |
| 5 | 5s | 5.915474 | -.02825690 |
| 6 | 5s | 1.881790 | .02892490 |
| 7 | 2s | 32.273788 | -.00000513 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476767 | < R2 > | 2.594323 | < 1/R > | .960424 | < 1/R**2 > | 3.710798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212813 | .71610179 |
| 2 | 1s | 8.200658 | .22612975 |
| 3 | 1s | 2.400009 | .00361455 |
| 4 | 2s | 6.450917 | .08046760 |
| 5 | 3s | 6.776868 | -.01403093 |
| 6 | 4s | 10.923619 | .00564566 |
| 7 | 5s | 42.303762 | -.00002687 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268112 | < R2 > | .096888 | < 1/R > | 5.668370 | < 1/R**2 > | 65.300481 |
Total Energy= -37.33558224 a.u.
Kinetic Energy= 37.33787680 a.u.
Potential Energy= -74.67345905 a.u.
Virial Ratio = -1.99993855