(1s 2 2s 2 2p 2 3p 1 ) 2 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 4.023555 | .65520608 |
| 2 | 3p | 2.869585 | -1.32756362 |
| 3 | 2p | 10.534530 | .03424621 |
| 4 | 4p | 6.324610 | -.07845147 |
| 5 | 5p | 17.801723 | .00205845 |
| 6 | 5p | 6.877372 | .02493164 |
| 7 | 4p | 2.509353 | .00535449 |
| ORB.ENERGY,a.u. | -4.114400 | ||
| NORM | 1.000000 | < R > | 1.375171 | < R2 > | 2.130233 | < 1/R > | .928948 | < 1/R**2 > | 1.663222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.430527 | 1.33543139 |
| 2 | 3p | 7.152831 | -.39285461 |
| 3 | 2p | 2.832627 | -.04596853 |
| 4 | 4p | 9.036660 | .09267146 |
| 5 | 5p | 17.435069 | .00441561 |
| 6 | 3p | 1.626972 | -.05196208 |
| 7 | 5p | 2.146059 | .03133481 |
| 8 | 3p | 1.163337 | .00347057 |
| 9 | 4p | 36.232035 | -.00005753 |
| ORB.ENERGY,a.u. | -11.868000 | ||
| NORM | 1.000000 | < R > | .437215 | < R2 > | .230394 | < 1/R > | 2.884822 | < 1/R**2 > | 11.273837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.262819 | .39687615 |
| 2 | 2s | 5.889930 | -.84539617 |
| 3 | 3s | 6.075644 | -.27721084 |
| 4 | 4s | 22.907793 | .00232031 |
| 5 | 3s | 13.678721 | .01470078 |
| 6 | 5s | 5.801151 | -.02744428 |
| 7 | 5s | 2.514234 | -.00008577 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508577 | < R2 > | .303692 | < 1/R > | 2.874039 | < 1/R**2 > | 33.580837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159327 | .92707315 |
| 2 | 1s | 20.478062 | .07204604 |
| 3 | 2s | 12.270826 | .01938117 |
| 4 | 3s | 15.691380 | -.01542130 |
| 5 | 5s | 32.614767 | .00095056 |
| 6 | 4s | 74.074421 | -.00005026 |
| 7 | 5s | 11.449203 | .00057445 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110827 | < R2 > | .016477 | < 1/R > | 13.627070 | < 1/R**2 > | 374.319887 |
Total Energy= -255.62330589 a.u.
Kinetic Energy= 255.57427586 a.u.
Potential Energy= -511.19758175 a.u.
Virial Ratio = -2.00019184