(1s 2 2s 2 4p 1 ) 2 P Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 6.042562 | .36963116 |
| 2 | 3p | 2.728635 | -.92784326 |
| 3 | 5p | 2.783058 | 1.57825531 |
| 4 | 4p | 4.145109 | -.40812165 |
| 5 | 5p | 7.273314 | .05232918 |
| 6 | 4p | 16.249819 | -.00578999 |
| 7 | 5p | 35.492585 | -.00083883 |
| 8 | 4p | 2.088066 | .07903559 |
| 9 | 4p | 54.079090 | -.00016960 |
| 10 | 5p | .987366 | -.00019211 |
| ORB.ENERGY,a.u. | -3.311100 | ||
| NORM | 1.000000 | < R > | 2.171418 | < R2 > | 5.344712 | < 1/R > | .662555 | < 1/R**2 > | 1.230019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.019099 | .38038915 |
| 2 | 2s | 5.370411 | -.81160547 |
| 3 | 3s | 7.705939 | -.28726644 |
| 4 | 5s | 13.739544 | -.01200962 |
| 5 | 4s | 26.081215 | .00345318 |
| 6 | 5s | 6.092931 | .02268450 |
| 7 | 5s | 36.711110 | -.00059195 |
| 8 | 4s | 2.888735 | .00042278 |
| ORB.ENERGY,a.u. | -16.730000 | ||
| NORM | 1.000000 | < R > | .482901 | < R2 > | .272443 | < 1/R > | 3.036681 | < 1/R**2 > | 37.167105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.193443 | .93350935 |
| 2 | 1s | 21.155725 | .06510985 |
| 3 | 2s | 14.517243 | .01960689 |
| 4 | 3s | 15.992008 | -.01647522 |
| 5 | 5s | 31.350086 | .00111081 |
| 6 | 4s | 72.076499 | -.00006396 |
| 7 | 5s | 12.298878 | -.00010601 |
| ORB.ENERGY,a.u. | -83.798000 |
| NORM | 1.000000 | < R > | .110297 | < R2 > | .016286 | < 1/R > | 13.669207 | < 1/R**2 > | 376.121059 |
Total Energy= -227.13077986 a.u.
Kinetic Energy= 227.13078108 a.u.
Potential Energy= -454.26156095 a.u.
Virial Ratio = -1.99999999