(1s 2 2s 2 2p 2 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 1.931175 | .79443875 |
| 2 | 2p | 3.459712 | .17886405 |
| 3 | 2p | 7.682848 | .00967591 |
| 4 | 3p | 2.135589 | -.00043709 |
| 5 | 4p | 1.804755 | .07961437 |
| 6 | 4p | 12.252689 | -.00053084 |
| ORB.ENERGY,a.u. | -1.072000 | ||
| NORM | 1.000000 | < R > | 1.243598 | < R2 > | 1.932081 | < 1/R > | 1.055980 | < 1/R**2 > | 1.580528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.431783 | .25133456 |
| 2 | 2s | 1.950189 | -.74713388 |
| 3 | 3s | 3.698892 | -.27005965 |
| 4 | 4s | 4.316425 | .01556715 |
| 5 | 5s | 3.260421 | -.03804278 |
| 6 | 5s | 11.431643 | .00782737 |
| 7 | 4s | 15.074669 | .00348180 |
| 8 | 4s | 1.893328 | -.02377565 |
| 9 | 5s | 45.771596 | .00004584 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.252801 | < R2 > | 1.874091 | < 1/R > | 1.140860 | < 1/R**2 > | 5.287058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.243764 | .71120360 |
| 2 | 1s | 9.358327 | .22514315 |
| 3 | 1s | 2.843372 | .00658560 |
| 4 | 2s | 7.157775 | .08426975 |
| 5 | 3s | 7.963507 | -.01444943 |
| 6 | 4s | 13.125405 | .00520540 |
| 7 | 5s | 60.081187 | -.00000826 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656722 | < 1/R**2 > | 89.910898 |
Total Energy= -53.88800511 a.u.
Kinetic Energy= 53.88800320 a.u.
Potential Energy= -107.77600832 a.u.
Virial Ratio = -2.00000004