(1s 1 3p 1 ) 1 P C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | 1.657454 | -2.09143512 |
| 2 | 2p | 1.725739 | 1.53908775 |
| 3 | 4p | 4.345938 | -.01157560 |
| 4 | 3p | 6.476786 | -.01013965 |
| 5 | 2p | 1.339072 | -.01518767 |
| 6 | 5p | 17.983366 | -.00027971 |
| 7 | 3p | 57.476817 | .00000596 |
| ORB.ENERGY,a.u. | -1.387600 | ||
| NORM | 1.000000 | < R > | 2.518501 | < R2 > | 7.307846 | < 1/R > | .551589 | < 1/R**2 > | .607940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.894975 | .75792733 |
| 2 | 1s | 6.102406 | .25560046 |
| 3 | 2s | 5.989326 | -.01463527 |
| 4 | 3s | 6.413367 | -.00114040 |
| 5 | 4s | 2.371020 | .00035967 |
| ORB.ENERGY,a.u. | -17.388000 |
| NORM | 1.000000 | < R > | .249930 | < R2 > | .083293 | < 1/R > | 6.001601 | < 1/R**2 > | 72.033899 |
Total Energy= -19.40446508 a.u.
Kinetic Energy= 19.37876700 a.u.
Potential Energy= -38.78323208 a.u.
Virial Ratio = -2.00132609