(1s 2 2s 2 2p 2 3d 1 ) 4 F Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 2.814328 | 1.11637908 |
| 2 | 3d | 6.207647 | .04742317 |
| 3 | 4d | 3.281078 | -.14802464 |
| 4 | 5d | 19.825985 | -.00028983 |
| ORB.ENERGY,a.u. | -3.778500 | ||
| NORM | 1.000000 | < R > | 1.196073 | < R2 > | 1.655281 | < 1/R > | .992277 | < 1/R**2 > | 1.209932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.272171 | 1.19814317 |
| 2 | 3p | 6.292663 | -.22178522 |
| 3 | 2p | 13.584283 | .01903892 |
| 4 | 4p | 14.779077 | .00423163 |
| 5 | 5p | 30.503718 | -.00029655 |
| 6 | 5p | 4.354392 | .00331173 |
| ORB.ENERGY,a.u. | -11.955000 | ||
| NORM | 1.000000 | < R > | .450007 | < R2 > | .246896 | < 1/R > | 2.831051 | < 1/R**2 > | 10.940418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.225823 | .39896738 |
| 2 | 2s | 5.924097 | -.84488888 |
| 3 | 3s | 6.066386 | -.27754468 |
| 4 | 4s | 22.712557 | .00237229 |
| 5 | 3s | 13.746974 | .01502177 |
| 6 | 5s | 5.906299 | -.03157461 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508549 | < R2 > | .303745 | < 1/R > | 2.874837 | < 1/R**2 > | 33.598224 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162739 | .92626407 |
| 2 | 1s | 20.402330 | .07282158 |
| 3 | 2s | 12.186534 | .01938884 |
| 4 | 3s | 15.602542 | -.01547398 |
| 5 | 5s | 32.838660 | .00104556 |
| 6 | 4s | 78.075091 | -.00004106 |
| 7 | 5s | 10.153880 | .00046639 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110781 | < R2 > | .016461 | < 1/R > | 13.630916 | < 1/R**2 > | 374.486866 |
Total Energy= -255.17191397 a.u.
Kinetic Energy= 255.24111702 a.u.
Potential Energy= -510.41303099 a.u.
Virial Ratio = -1.99972887