(1s 2 2s 2 2p 1 4p 1 ) 1 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | .394855 | .55238632 |
| 2 | 3p | .523875 | -1.07572238 |
| 3 | 4p | .294589 | 1.39051063 |
| 4 | 5p | .511802 | -.43193968 |
| 5 | 2p | 3.395888 | .00725477 |
| 6 | 5p | 5.213905 | .00150172 |
| ORB.ENERGY,a.u. | -.042035 | ||
| NORM | .999999 | < R > | 16.927715 | < R2 > | 323.544549 | < 1/R > | .074633 | < 1/R**2 > | .008998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.664842 | .87503158 |
| 2 | 2p | 4.429092 | .07462086 |
| 3 | 3p | .470692 | -.03201154 |
| 4 | 5p | 1.814050 | .05789649 |
| 5 | 5p | 4.174143 | .01947396 |
| 6 | 4p | 4.908992 | .03898143 |
| 7 | 3p | 3.057576 | -.00052631 |
| 8 | 4p | .288178 | .04585247 |
| 9 | 3p | 18.251665 | .00003543 |
| ORB.ENERGY,a.u. | -.776860 | ||
| NORM | 1.000000 | < R > | 1.474685 | < R2 > | 3.020061 | < 1/R > | .890423 | < 1/R**2 > | 1.114047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580281 | .24014144 |
| 2 | 2s | 1.550340 | -.76188115 |
| 3 | 3s | 2.864673 | -.27238824 |
| 4 | 5s | 5.919277 | -.02854020 |
| 5 | 5s | 1.871978 | .02850560 |
| 6 | 4s | 11.628191 | .00200385 |
| 7 | 2s | 34.545705 | -.00000414 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476578 | < R2 > | 2.593395 | < 1/R > | .960483 | < 1/R**2 > | 3.711098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212781 | .71609939 |
| 2 | 1s | 8.200758 | .22613522 |
| 3 | 1s | 2.393170 | .00359247 |
| 4 | 2s | 6.451282 | .08047910 |
| 5 | 3s | 6.780248 | -.01402490 |
| 6 | 4s | 10.924746 | .00565390 |
| 7 | 5s | 42.385142 | -.00002663 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268113 | < R2 > | .096889 | < 1/R > | 5.668361 | < 1/R**2 > | 65.300319 |
Total Energy= -37.33627944 a.u.
Kinetic Energy= 37.33425571 a.u.
Potential Energy= -74.67053516 a.u.
Virial Ratio = -2.00005421