(1s 2 2s 2 2p 2 3p 1 ) 2 S Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 5.852310 | .73383615 |
| 2 | 3p | 3.858754 | -1.32835496 |
| 3 | 2p | 14.590945 | .02165186 |
| 4 | 4p | 9.253905 | -.05432353 |
| 5 | 5p | 22.006319 | .00178027 |
| 6 | 5p | 4.026518 | .03965002 |
| ORB.ENERGY,a.u. | -7.759100 | ||
| NORM | 1.000000 | < R > | .989694 | < R2 > | 1.124078 | < 1/R > | 1.388452 | < 1/R**2 > | 4.018619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.694972 | 1.09455407 |
| 2 | 3p | 7.532632 | -.13836558 |
| 3 | 2p | 14.400379 | .03766653 |
| 4 | 4p | 4.365885 | .00245682 |
| 5 | 4p | 15.771964 | .00926932 |
| 6 | 5p | 40.752513 | -.00016615 |
| ORB.ENERGY,a.u. | -65.297000 | ||
| NORM | 1.000000 | < R > | .352815 | < R2 > | .151139 | < 1/R > | 3.593585 | < 1/R**2 > | 17.527613 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.346098 | .42856594 |
| 2 | 2s | 7.466010 | -.86834474 |
| 3 | 3s | 7.598092 | -.28591314 |
| 4 | 4s | 28.843034 | .00195359 |
| 5 | 3s | 15.534368 | .01748343 |
| 6 | 5s | 7.313436 | -.02099563 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405516 | < R2 > | .192772 | < 1/R > | 3.621279 | < 1/R**2 > | 53.217939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.056843 | .92202229 |
| 2 | 1s | 24.206391 | .07678183 |
| 3 | 2s | 15.032144 | .01930951 |
| 4 | 3s | 18.658005 | -.01558991 |
| 5 | 5s | 40.232098 | .00078602 |
| 6 | 4s | 92.718622 | -.00003682 |
| 7 | 5s | 14.090582 | .00034598 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090761 | < R2 > | .011040 | < 1/R > | 16.621276 | < 1/R**2 > | 556.167474 |
Total Energy= -388.75952279 a.u.
Kinetic Energy= 388.91282029 a.u.
Potential Energy= -777.67234309 a.u.
Virial Ratio = -1.99960583