(1s 2 2s 2 2p 2 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 1.269333 | .69112706 |
| 2 | 2p | 2.325747 | .33038630 |
| 3 | 2p | 6.086064 | .01315113 |
| 4 | 3p | 2.823532 | -.03766987 |
| 5 | 4p | 1.135712 | .08837529 |
| 6 | 4p | 5.415197 | .00601148 |
| 7 | 3p | 16.833788 | .00004091 |
| ORB.ENERGY,a.u. | -.338960 | ||
| NORM | 1.000000 | < R > | 1.771994 | < R2 > | 4.043885 | < 1/R > | .766670 | < 1/R**2 > | .863236 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.642683 | .22109561 |
| 2 | 2s | 1.413444 | -.76989274 |
| 3 | 3s | 2.912484 | -.27274016 |
| 4 | 4s | 1.462556 | .03720338 |
| 5 | 5s | 6.076057 | -.02452034 |
| 6 | 5s | 1.372005 | -.01951898 |
| 7 | 4s | 11.988233 | .00135912 |
| 8 | 3s | .739489 | .00153491 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.582250 | < R2 > | 3.023727 | < 1/R > | .900965 | < 1/R**2 > | 3.285715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.209481 | .71628613 |
| 2 | 1s | 8.210350 | .22575491 |
| 3 | 1s | 2.074072 | .00406466 |
| 4 | 2s | 6.468138 | .08050642 |
| 5 | 3s | 6.973533 | -.01389237 |
| 6 | 4s | 10.997404 | .00586438 |
| 7 | 5s | 45.738734 | -.00001794 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268401 | < R2 > | .097160 | < 1/R > | 5.664947 | < 1/R**2 > | 65.243023 |
Total Energy= -37.68750762 a.u.
Kinetic Energy= 37.63133282 a.u.
Potential Energy= -75.31884044 a.u.
Virial Ratio = -2.00149277