(1s 2 2s 2 2p 3 ) 4 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 2p- electron | |
| 1 | 2p | 5.155556 | 1.20051201 |
| 2 | 3p | 6.333069 | -.22419861 |
| 3 | 2p | 13.205215 | .02154398 |
| 4 | 4p | 14.379776 | .00459522 |
| 5 | 5p | 30.899971 | -.00025377 |
| 6 | 5p | 4.237428 | .00334009 |
| 7 | 4p | 3.115766 | -.00106139 |
| ORB.ENERGY,a.u. | -11.172000 | ||
| NORM | 1.000000 | < R > | .462401 | < R2 > | .261119 | < 1/R > | 2.762762 | < 1/R**2 > | 10.459189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.293353 | .38637504 |
| 2 | 2s | 5.821310 | -.84139953 |
| 3 | 3s | 5.725354 | -.27915931 |
| 4 | 4s | 22.901397 | .00226660 |
| 5 | 3s | 13.795304 | .01328942 |
| 6 | 5s | 5.776128 | -.02490899 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .519443 | < R2 > | .317379 | < 1/R > | 2.809922 | < 1/R**2 > | 32.200862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162601 | .92820618 |
| 2 | 1s | 21.055150 | .06792977 |
| 3 | 2s | 14.484126 | .01997697 |
| 4 | 3s | 17.132930 | -.01335397 |
| 5 | 5s | 32.450867 | .00089032 |
| 6 | 4s | 8.788351 | .00077335 |
| 7 | 5s | 14.320353 | .00192337 |
| 8 | 3s | 49.308480 | -.00012405 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110996 | < R2 > | .016539 | < 1/R > | 13.614060 | < 1/R**2 > | 373.769824 |
Total Energy= -262.62887410 a.u.
Kinetic Energy= 262.62887188 a.u.
Potential Energy= -525.25774599 a.u.
Virial Ratio = -2.00000001