(1s 2 2s 2 2p 3 4s 1 ) 5 S F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 8.543639 | .04240426 |
| 2 | 2s | 1.130664 | -.66355900 |
| 3 | 3s | 1.168841 | 1.64162117 |
| 4 | 4s | .681883 | -1.28285415 |
| 5 | 5s | 1.679702 | -.28041112 |
| 6 | 4s | 5.652159 | -.06157090 |
| 7 | 5s | 10.887201 | -.01508164 |
| 8 | 4s | 15.541452 | -.00467705 |
| 9 | 5s | 41.143313 | -.00015712 |
| 10 | 4s | 59.657380 | -.00003335 |
| ORB.ENERGY,a.u. | -.210350 | ||
| NORM | 1.000000 | < R > | 7.189729 | < R2 > | 58.242490 | < 1/R > | .191926 | < 1/R**2 > | .291261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.483506 | .75161297 |
| 2 | 2p | 4.162917 | .29262171 |
| 3 | 2p | 9.527091 | .01318994 |
| 4 | 3p | 2.702116 | -.02302910 |
| 5 | 4p | 2.296296 | .02034512 |
| 6 | 5p | 10.510667 | .00306612 |
| 7 | 4p | 6.467879 | -.01246804 |
| 8 | 5p | 1.031504 | -.00057306 |
| ORB.ENERGY,a.u. | -2.092200 | ||
| NORM | 1.000000 | < R > | .879581 | < R2 > | .963078 | < 1/R > | 1.485354 | < 1/R**2 > | 3.103619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.557574 | .31052895 |
| 2 | 2s | 3.303404 | -.84320015 |
| 3 | 3s | 2.735050 | -.27175561 |
| 4 | 4s | 11.079180 | .01555524 |
| 5 | 3s | 13.057057 | .00838744 |
| 6 | 5s | .936524 | .00528002 |
| 7 | 4s | 1.138834 | -.00898222 |
| 8 | 2s | 27.593129 | .00015530 |
| 9 | 3s | .556933 | .00863752 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .923068 | < R2 > | 1.018300 | < 1/R > | 1.563088 | < 1/R**2 > | 10.002133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.102749 | .85116747 |
| 2 | 1s | 11.692687 | .15602001 |
| 3 | 2s | 8.796113 | -.00613301 |
| 4 | 3s | 5.408442 | .00316668 |
| 5 | 4s | 17.206823 | .00421381 |
| 6 | 5s | 95.157138 | -.00000461 |
| 7 | 5s | .713248 | -.00033984 |
| 8 | 5s | 2.342573 | .00021926 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175508 | < R2 > | .041471 | < 1/R > | 8.637049 | < 1/R**2 > | 151.006820 |
Total Energy= -97.81568521 a.u.
Kinetic Energy= 97.81922928 a.u.
Potential Energy= -195.63491450 a.u.
Virial Ratio = -1.99996377