(1s 2 2s 2 2p 2 4p 1 ) 2 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 6.431678 | .21836803 |
| 2 | 3p | 1.810336 | -.51995536 |
| 3 | 5p | 2.300061 | 1.48231706 |
| 4 | 4p | 3.424059 | -.69888756 |
| 5 | 5p | 7.951603 | .03472458 |
| 6 | 4p | 18.663014 | -.00245879 |
| 7 | 5p | 1.968366 | .16982912 |
| 8 | 5p | 42.246747 | -.00026963 |
| 9 | 4p | 66.020875 | -.00004972 |
| ORB.ENERGY,a.u. | -2.217600 | ||
| NORM | 1.000000 | < R > | 2.598103 | < R2 > | 7.622075 | < 1/R > | .527904 | < 1/R**2 > | .726427 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.558135 | 1.24090044 |
| 2 | 3p | 7.453776 | -.29208187 |
| 3 | 4p | 9.599438 | .05157587 |
| 4 | 5p | 2.311334 | .06069695 |
| 5 | 4p | 2.112356 | -.04557254 |
| 6 | 5p | 28.492924 | -.00079702 |
| 7 | 3p | 24.854610 | -.00063909 |
| 8 | 3p | .955171 | .00036365 |
| 9 | 4p | 78.266861 | .00001240 |
| ORB.ENERGY,a.u. | -12.346000 | ||
| NORM | 1.000000 | < R > | .444877 | < R2 > | .242311 | < 1/R > | 2.857314 | < 1/R**2 > | 11.110336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.207184 | .40090326 |
| 2 | 2s | 5.943109 | -.84514427 |
| 3 | 3s | 6.156399 | -.27707029 |
| 4 | 4s | 23.550209 | .00229986 |
| 5 | 3s | 13.042184 | .01841216 |
| 6 | 5s | 6.159040 | -.03570677 |
| 7 | 4s | 1.678217 | .00014280 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507150 | < R2 > | .301798 | < 1/R > | 2.881876 | < 1/R**2 > | 33.747404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161132 | .92629087 |
| 2 | 1s | 20.404509 | .07281591 |
| 3 | 2s | 12.133784 | .01942213 |
| 4 | 3s | 15.606919 | -.01547353 |
| 5 | 5s | 32.763971 | .00104603 |
| 6 | 4s | 78.181285 | -.00004023 |
| 7 | 5s | 10.463047 | .00042964 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110802 | < R2 > | .016468 | < 1/R > | 13.629092 | < 1/R**2 > | 374.406978 |
Total Energy= -253.69793032 a.u.
Kinetic Energy= 253.67879383 a.u.
Potential Energy= -507.37672415 a.u.
Virial Ratio = -2.00007544