(1s 2 2s 2 2p 3 3d 1 ) 5 D Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 2.485824 | 1.14787045 |
| 2 | 3d | 5.937909 | .04802502 |
| 3 | 4d | 2.990219 | -.17679131 |
| 4 | 5d | 19.366077 | -.00010725 |
| 5 | 5d | 1.670582 | .00054992 |
| 6 | 4d | 39.996634 | .00001235 |
| ORB.ENERGY,a.u. | -2.894100 | ||
| NORM | 1.000000 | < R > | 1.358422 | < R2 > | 2.140254 | < 1/R > | .877324 | < 1/R**2 > | .952501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.215979 | 1.37851020 |
| 2 | 3p | 6.698990 | -.46582971 |
| 3 | 4p | 8.235503 | .08774720 |
| 4 | 5p | 4.644142 | .00895759 |
| 5 | 4p | 19.874617 | -.00236014 |
| 6 | 3p | 20.494002 | -.00156339 |
| 7 | 4p | 5.966530 | -.00753793 |
| ORB.ENERGY,a.u. | -10.288000 | ||
| NORM | 1.000000 | < R > | .465416 | < R2 > | .265151 | < 1/R > | 2.750291 | < 1/R**2 > | 10.381665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.217374 | .38912384 |
| 2 | 2s | 5.855763 | -.85012952 |
| 3 | 3s | 5.530008 | -.28607255 |
| 4 | 4s | 23.108690 | .00206400 |
| 5 | 3s | 13.530068 | .01577175 |
| 6 | 5s | 5.417550 | -.01589108 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .521270 | < R2 > | .319959 | < 1/R > | 2.801073 | < 1/R**2 > | 32.017954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.171652 | .92665034 |
| 2 | 1s | 20.336513 | .07189719 |
| 3 | 2s | 11.837022 | .01815738 |
| 4 | 3s | 16.609688 | -.01485365 |
| 5 | 4s | 25.885508 | .00300360 |
| 6 | 5s | 47.836516 | .00008429 |
| 7 | 5s | 10.039656 | .00072498 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .110990 | < R2 > | .016537 | < 1/R > | 13.614613 | < 1/R**2 > | 373.794258 |
Total Energy= -265.48124022 a.u.
Kinetic Energy= 265.52329693 a.u.
Potential Energy= -531.00453715 a.u.
Virial Ratio = -1.99984161