(1s 2 2s 2 2p 3 3s 1 ) 3 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 13.549941 | .17254338 |
| 2 | 2s | 4.927802 | -.95698260 |
| 3 | 3s | 3.788919 | 1.53157200 |
| 4 | 4s | 11.441056 | -.01476307 |
| 5 | 5s | 20.736394 | -.00423960 |
| 6 | 5s | 3.565585 | .00159708 |
| 7 | 2s | 87.024044 | .00000280 |
| ORB.ENERGY,a.u. | -7.011400 | ||
| NORM | 1.000000 | < R > | 1.091424 | < R2 > | 1.340103 | < 1/R > | 1.267569 | < 1/R**2 > | 9.354826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.770923 | 1.26532250 |
| 2 | 3p | 8.844359 | -.34848899 |
| 3 | 4p | 11.098338 | .07603770 |
| 4 | 5p | 22.073659 | .00353776 |
| 5 | 4p | 4.467785 | .00488617 |
| 6 | 5p | 14.302267 | -.00025477 |
| 7 | 5p | 4.037835 | -.00354793 |
| 8 | 3p | 2.885968 | .00243595 |
| ORB.ENERGY,a.u. | -18.315000 | ||
| NORM | 1.000000 | < R > | .362468 | < R2 > | .159863 | < 1/R > | 3.508785 | < 1/R**2 > | 16.777923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.547037 | .37209237 |
| 2 | 2s | 6.482464 | -.81229100 |
| 3 | 3s | 9.453965 | -.25793726 |
| 4 | 4s | 28.156297 | .00290126 |
| 5 | 3s | 3.575433 | .01666227 |
| 6 | 5s | 8.799084 | -.03950973 |
| 7 | 2s | 49.191623 | -.00005147 |
| 8 | 4s | 2.491720 | -.00024008 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .409297 | < R2 > | .196044 | < 1/R > | 3.579231 | < 1/R**2 > | 52.058106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.186248 | .94777720 |
| 2 | 1s | 26.327396 | .04945831 |
| 3 | 2s | 16.848658 | .01786082 |
| 4 | 3s | 21.968897 | -.01386929 |
| 5 | 4s | 33.523476 | .00207672 |
| 6 | 5s | 4.853737 | -.00099170 |
| 7 | 5s | 15.198812 | .00197308 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090922 | < R2 > | .011089 | < 1/R > | 16.602840 | < 1/R**2 > | 555.210764 |
Total Energy= -407.73500884 a.u.
Kinetic Energy= 407.65897742 a.u.
Potential Energy= -815.39398626 a.u.
Virial Ratio = -2.00018651