(1s 2 2s 2 2p 2 3s 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 11.316325 | .16402371 |
| 2 | 2s | 3.975747 | -.92337163 |
| 3 | 3s | 3.052952 | 1.51758067 |
| 4 | 4s | 9.001842 | -.02413808 |
| 5 | 5s | 16.519031 | -.00609360 |
| 6 | 5s | 2.688216 | .00126988 |
| 7 | 2s | 97.188030 | .00000139 |
| ORB.ENERGY,a.u. | -4.529300 | ||
| NORM | 1.000000 | < R > | 1.351113 | < R2 > | 2.053285 | < 1/R > | 1.019973 | < 1/R**2 > | 6.019347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.332905 | 1.15111778 |
| 2 | 3p | 6.388058 | -.17324770 |
| 3 | 2p | 13.874381 | .01957967 |
| 4 | 4p | 17.118914 | .00774673 |
| 5 | 5p | 24.477426 | -.00190691 |
| 6 | 5p | 4.740729 | .00051558 |
| 7 | 4p | 67.062844 | .00003165 |
| ORB.ENERGY,a.u. | -11.959000 | ||
| NORM | 1.000000 | < R > | .448001 | < R2 > | .244120 | < 1/R > | 2.838486 | < 1/R**2 > | 10.983583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.996053 | .41514205 |
| 2 | 2s | 6.067714 | -.86783326 |
| 3 | 3s | 5.964828 | -.28866831 |
| 4 | 4s | 23.748899 | .00275356 |
| 5 | 3s | 12.128456 | .02759968 |
| 6 | 5s | 6.441832 | -.02489549 |
| 7 | 4s | 3.089915 | .01593528 |
| 8 | 3s | 2.493680 | -.00673984 |
| 9 | 5s | 67.164934 | .00002086 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .503271 | < R2 > | .296354 | < 1/R > | 2.901214 | < 1/R**2 > | 34.152647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.246159 | .90943600 |
| 2 | 1s | 19.251554 | .08391543 |
| 3 | 2s | 10.272489 | .02157590 |
| 4 | 3s | 12.683576 | -.00989486 |
| 5 | 5s | 34.246485 | .00098259 |
| 6 | 5s | 3.971388 | -.00095232 |
| 7 | 3s | 57.475310 | -.00006473 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110825 | < R2 > | .016478 | < 1/R > | 13.627355 | < 1/R**2 > | 374.331200 |
Total Energy= -256.03143994 a.u.
Kinetic Energy= 255.98276480 a.u.
Potential Energy= -512.01420474 a.u.
Virial Ratio = -2.00019015