(1s 2 2s 2 2p 2 5p 1 ) 4 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 3.697624 | .32858065 |
| 2 | 3p | 1.988024 | -3.01169178 |
| 3 | 4p | 1.761506 | 6.99007215 |
| 4 | 5p | 1.682900 | -4.81726918 |
| 5 | 4p | 1.345792 | -.10283187 |
| 6 | 2p | 8.552599 | .03415621 |
| 7 | 5p | 24.091023 | -.00071106 |
| 8 | 4p | 35.123955 | -.00020012 |
| ORB.ENERGY,a.u. | -1.391300 | ||
| NORM | .999999 | < R > | 4.200434 | < R2 > | 19.838115 | < 1/R > | .334694 | < 1/R**2 > | .356819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.556001 | 1.24005760 |
| 2 | 3p | 7.474271 | -.29266231 |
| 3 | 4p | 9.721079 | .05162124 |
| 4 | 5p | 2.096967 | .09319069 |
| 5 | 4p | 1.545619 | -.09399144 |
| 6 | 5p | 30.465498 | -.00097931 |
| 7 | 4p | 43.798599 | -.00023664 |
| 8 | 3p | 79.734545 | -.00000889 |
| ORB.ENERGY,a.u. | -12.560000 | ||
| NORM | 1.000000 | < R > | .446168 | < R2 > | .246304 | < 1/R > | 2.853067 | < 1/R**2 > | 11.083986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235480 | .39972930 |
| 2 | 2s | 5.921012 | -.84562197 |
| 3 | 3s | 6.126188 | -.27719189 |
| 4 | 4s | 23.014166 | .00230363 |
| 5 | 3s | 13.540360 | .01585349 |
| 6 | 5s | 6.101433 | -.02986202 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506727 | < R2 > | .301256 | < 1/R > | 2.884313 | < 1/R**2 > | 33.799924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161775 | .92627776 |
| 2 | 1s | 20.402668 | .07282145 |
| 3 | 2s | 12.150981 | .01941121 |
| 4 | 3s | 15.603253 | -.01547449 |
| 5 | 5s | 32.760380 | .00104665 |
| 6 | 4s | 78.246968 | -.00004126 |
| 7 | 5s | 10.349626 | .00043698 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110794 | < R2 > | .016465 | < 1/R > | 13.629755 | < 1/R**2 > | 374.435701 |
Total Energy= -252.85768212 a.u.
Kinetic Energy= 252.85311080 a.u.
Potential Energy= -505.71079292 a.u.
Virial Ratio = -2.00001808