(1s 2 2s 2 4s 1 ) 2 S P 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 11.332707 | .14434282 |
| 2 | 2s | 3.314485 | -1.74912239 |
| 3 | 3s | 3.111688 | 4.27696146 |
| 4 | 4s | 2.890495 | -3.32899918 |
| 5 | 5s | 5.505987 | .11494346 |
| 6 | 4s | 10.724585 | -.02799175 |
| 7 | 5s | 32.263227 | .00060746 |
| 8 | 4s | 44.237765 | .00007100 |
| ORB.ENERGY,a.u. | -4.158100 | ||
| NORM | .999999 | < R > | 1.993915 | < R2 > | 4.466151 | < 1/R > | .730228 | < 1/R**2 > | 4.238010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.605861 | .39773229 |
| 2 | 2s | 6.074235 | -.80956716 |
| 3 | 3s | 7.989649 | -.28893619 |
| 4 | 5s | 14.433694 | -.01278191 |
| 5 | 4s | 27.977934 | .00379610 |
| 6 | 5s | 39.194990 | -.00071819 |
| 7 | 5s | 5.923222 | .00269523 |
| 8 | 4s | 2.269693 | .00027627 |
| ORB.ENERGY,a.u. | -19.938000 | ||
| NORM | 1.000000 | < R > | .446390 | < R2 > | .232759 | < 1/R > | 3.290911 | < 1/R**2 > | 43.635791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.190236 | .93885094 |
| 2 | 1s | 22.843445 | .06002066 |
| 3 | 2s | 15.424603 | .01962565 |
| 4 | 3s | 17.404015 | -.01661213 |
| 5 | 5s | 34.343355 | .00103023 |
| 6 | 4s | 79.072661 | -.00005242 |
| 7 | 5s | 17.529312 | -.00059497 |
| ORB.ENERGY,a.u. | -97.286000 |
| NORM | 1.000000 | < R > | .102733 | < R2 > | .014125 | < 1/R > | 14.670023 | < 1/R**2 > | 433.009080 |
Total Energy= -262.65048447 a.u.
Kinetic Energy= 262.65046289 a.u.
Potential Energy= -525.30094736 a.u.
Virial Ratio = -2.00000008