(1s 2 3p 1 ) 2 P P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 2p | 5.980431 | .82489808 |
| 2 | 3p | 4.254551 | -1.56444449 |
| 3 | 4p | 6.780974 | .20631414 |
| 4 | 5p | 12.312704 | .01772173 |
| 5 | 4p | 28.963195 | -.00250379 |
| 6 | 5p | 38.228775 | .00080215 |
| 7 | 5p | 3.801506 | .00482290 |
| 8 | 3p | 67.491599 | -.00002514 |
| ORB.ENERGY,a.u. | -9.500300 | ||
| NORM | 1.000000 | < R > | .950578 | < R2 > | 1.041510 | < 1/R > | 1.466659 | < 1/R**2 > | 4.363309 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.425236 | .93800562 |
| 2 | 1s | 22.535976 | .05041907 |
| 3 | 2s | 16.674339 | .01690989 |
| 4 | 3s | 16.464731 | .00129689 |
| 5 | 4s | 23.971754 | -.00164910 |
| 6 | 5s | 32.752083 | .00046279 |
| 7 | 3s | 38.229418 | -.00056237 |
| 8 | 5s | 5.922828 | -.00006646 |
| ORB.ENERGY,a.u. | -102.000000 |
| NORM | 1.000000 | < R > | .102635 | < R2 > | .014093 | < 1/R > | 14.680873 | < 1/R**2 > | 433.573872 |
Total Energy= -225.22433118 a.u.
Kinetic Energy= 225.22434039 a.u.
Potential Energy= -450.44867156 a.u.
Virial Ratio = -1.99999996