(1s 2 2s 2 2p 2 3d 1 ) 4 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 3.788502 | 1.07384311 |
| 2 | 3d | 8.781479 | .02134191 |
| 3 | 4d | 4.546865 | -.08673633 |
| 4 | 5d | 23.353798 | -.00031739 |
| 5 | 5d | 2.407572 | .00020493 |
| ORB.ENERGY,a.u. | -6.951000 | ||
| NORM | 1.000000 | < R > | .908937 | < R2 > | .950322 | < 1/R > | 1.295463 | < 1/R**2 > | 2.040941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 16.180234 | .02049329 |
| 2 | 4p | 18.369572 | .00553491 |
| 3 | 5p | 30.066014 | -.00047073 |
| 4 | 5p | 5.713447 | -.00064335 |
| 5 | 4p | 76.921859 | .00001797 |
| 6 | 2p | 6.764243 | 1.13657246 |
| 7 | 3p | 7.887354 | -.16037443 |
| ORB.ENERGY,a.u. | -20.365000 | ||
| NORM | 1.000000 | < R > | .352235 | < R2 > | .150515 | < 1/R > | 3.597565 | < 1/R**2 > | 17.560508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.323060 | .42989753 |
| 2 | 2s | 7.487366 | -.86807340 |
| 3 | 3s | 7.558376 | -.28654156 |
| 4 | 4s | 28.253089 | .00206039 |
| 5 | 3s | 15.943591 | .01587712 |
| 6 | 5s | 7.419061 | -.02085102 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405355 | < R2 > | .192637 | < 1/R > | 3.623106 | < 1/R**2 > | 53.265488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.061146 | .92144236 |
| 2 | 1s | 24.149371 | .07730519 |
| 3 | 2s | 15.028304 | .01928357 |
| 4 | 3s | 18.605168 | -.01560915 |
| 5 | 5s | 40.515198 | .00084970 |
| 6 | 4s | 97.138201 | -.00003091 |
| 7 | 5s | 12.473737 | .00033739 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625589 | < 1/R**2 > | 556.397444 |
Total Energy= -388.14569356 a.u.
Kinetic Energy= 388.11330166 a.u.
Potential Energy= -776.25899521 a.u.
Virial Ratio = -2.00008346