(1s 2 2s 2 2p 2 5d 1 ) 4 F Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 5d- electron | |
| 1 | 3d | 2.115456 | 1.48324111 |
| 2 | 4d | 1.783264 | -3.86918489 |
| 3 | 5d | 1.606510 | 3.12583044 |
| 4 | 3d | 6.038494 | .03224099 |
| 5 | 5d | 3.439207 | -.07368485 |
| 6 | 4d | 14.611975 | .00031141 |
| 7 | 5d | 1.234587 | -.01165172 |
| 8 | 5d | 20.620199 | -.00027638 |
| ORB.ENERGY,a.u. | -1.328000 | ||
| NORM | 1.000000 | < R > | 4.141791 | < R2 > | 19.481516 | < 1/R > | .337995 | < 1/R**2 > | .242122 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.344545 | 1.17882238 |
| 2 | 3p | 6.464676 | -.19586291 |
| 3 | 2p | 13.953045 | .01665338 |
| 4 | 4p | 15.585924 | .00397785 |
| 5 | 5p | 27.193070 | -.00043309 |
| 6 | 5p | 6.184706 | -.00252730 |
| 7 | 4p | .720782 | .00006601 |
| 8 | 3p | 49.919280 | .00001827 |
| ORB.ENERGY,a.u. | -12.572000 | ||
| NORM | 1.000000 | < R > | .446551 | < R2 > | .242488 | < 1/R > | 2.846675 | < 1/R**2 > | 11.041368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.237310 | .39966327 |
| 2 | 2s | 5.920596 | -.84556172 |
| 3 | 3s | 6.123768 | -.27717797 |
| 4 | 4s | 23.092643 | .00221769 |
| 5 | 3s | 13.610069 | .01571770 |
| 6 | 5s | 6.097357 | -.02964194 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506694 | < R2 > | .301221 | < 1/R > | 2.884536 | < 1/R**2 > | 33.804190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626280 |
| 2 | 1s | 20.401081 | .07282772 |
| 3 | 2s | 12.168881 | .01940056 |
| 4 | 3s | 15.600354 | -.01547516 |
| 5 | 5s | 32.784275 | .00104669 |
| 6 | 4s | 78.233094 | -.00004186 |
| 7 | 5s | 10.231996 | .00045011 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016462 | < 1/R > | 13.630438 | < 1/R**2 > | 374.465487 |
Total Energy= -252.77966609 a.u.
Kinetic Energy= 252.79037519 a.u.
Potential Energy= -505.57004128 a.u.
Virial Ratio = -1.99995764