(1s 2 2s 2 2p 1 3d 1 ) 3 F Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3.228532 | .91296176 |
| 2 | 3d | 6.208115 | .05460711 |
| 3 | 4d | 2.687059 | .06800169 |
| 4 | 5d | 21.007071 | -.00029031 |
| 5 | 5d | 2.427774 | -.01636852 |
| 6 | 4d | 69.307709 | .00000131 |
| 7 | 4d | 1.756602 | .00340779 |
| ORB.ENERGY,a.u. | -4.729800 | ||
| NORM | 1.000000 | < R > | 1.080937 | < R2 > | 1.348482 | < 1/R > | 1.093722 | < 1/R**2 > | 1.461385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.631163 | 1.09393210 |
| 2 | 3p | 7.098504 | -.11805643 |
| 3 | 2p | 12.844595 | .01822985 |
| 4 | 5p | 14.505841 | .00446376 |
| 5 | 4p | 26.759297 | -.00085012 |
| 6 | 5p | 5.242172 | .01245962 |
| 7 | 3p | 36.340225 | -.00008683 |
| ORB.ENERGY,a.u. | -13.771000 | ||
| NORM | 1.000000 | < R > | .436640 | < R2 > | .231802 | < 1/R > | 2.907239 | < 1/R**2 > | 11.485807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.175474 | .36244815 |
| 2 | 2s | 5.162204 | -.80326098 |
| 3 | 3s | 7.658765 | -.27974971 |
| 4 | 4s | 26.341721 | .00131303 |
| 5 | 5s | 14.920763 | -.01184314 |
| 6 | 5s | 5.807486 | .01496353 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496354 | < R2 > | .288689 | < 1/R > | 2.949880 | < 1/R**2 > | 35.235908 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165766 | .92630611 |
| 2 | 1s | 20.281224 | .07397032 |
| 3 | 2s | 11.988658 | .01867080 |
| 4 | 3s | 14.849688 | -.01661822 |
| 5 | 4s | 72.099461 | -.00005681 |
| 6 | 5s | 32.440751 | .00092192 |
| 7 | 5s | 8.240023 | .00008812 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110542 | < R2 > | .016375 | < 1/R > | 13.649774 | < 1/R**2 > | 375.291622 |
Total Energy= -243.22147627 a.u.
Kinetic Energy= 243.28737992 a.u.
Potential Energy= -486.50885618 a.u.
Virial Ratio = -1.99972911