(1s 2 2s 2 2p 2 3p 1 ) 4 S S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 4.705119 | .74261564 |
| 2 | 3p | 3.556782 | -1.41973377 |
| 3 | 2p | 12.930058 | .02516720 |
| 4 | 4p | 8.248696 | -.04505430 |
| 5 | 5p | 20.824081 | .00154391 |
| 6 | 5p | 5.010815 | .01400983 |
| 7 | 4p | 37.285803 | .00001609 |
| ORB.ENERGY,a.u. | -6.295000 | ||
| NORM | 1.000000 | < R > | 1.128987 | < R2 > | 1.434353 | < 1/R > | 1.129428 | < 1/R**2 > | 2.423928 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.308914 | 1.35507414 |
| 2 | 3p | 8.167810 | -.38919869 |
| 3 | 2p | 2.869007 | -.09518104 |
| 4 | 4p | 10.331439 | .08923298 |
| 5 | 5p | 20.027514 | .00412308 |
| 6 | 3p | 1.959269 | .00383514 |
| 7 | 3p | 6.329293 | -.00004966 |
| 8 | 4p | 1.683007 | -.00078940 |
| 9 | 4p | 42.672714 | -.00004235 |
| ORB.ENERGY,a.u. | -17.308000 | ||
| NORM | 1.000000 | < R > | .369311 | < R2 > | .163934 | < 1/R > | 3.402340 | < 1/R**2 > | 15.613232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.648935 | .41930738 |
| 2 | 2s | 6.942454 | -.86225357 |
| 3 | 3s | 7.079683 | -.28367743 |
| 4 | 4s | 27.042844 | .00206252 |
| 5 | 3s | 14.799472 | .01700989 |
| 6 | 5s | 6.806213 | -.02190375 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434795 | < R2 > | .221694 | < 1/R > | 3.372748 | < 1/R**2 > | 46.188394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.108949 | .92727000 |
| 2 | 1s | 23.170160 | .07149855 |
| 3 | 2s | 14.153607 | .01949188 |
| 4 | 3s | 17.822637 | -.01555624 |
| 5 | 5s | 37.506938 | .00084182 |
| 6 | 4s | 85.872851 | -.00004208 |
| 7 | 5s | 13.131813 | .00041534 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096592 | < R2 > | .012507 | < 1/R > | 15.623084 | < 1/R**2 > | 491.558461 |
Total Energy= -341.25729244 a.u.
Kinetic Energy= 341.21801779 a.u.
Potential Energy= -682.47531023 a.u.
Virial Ratio = -2.00011510