(1s 2 2s 2 2p 6 3s 2 4p 1 ) 2 P Si +
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 | .643015 | -1.38432679 |
| 2 | 3p | .658220 | 2.20225072 |
| 3 | 4p | 1.270093 | -.15556349 |
| 4 | 2p | 4.485084 | .19274777 |
| 5 | 5p | 2.563822 | -.05846506 |
| 6 | 3p | 6.423518 | -.07114031 |
| 7 | 4p | 9.200419 | .00793447 |
| 8 | 5p | 38.646911 | -.00002984 |
| ORB.ENERGY,a.u. | -.220730 | ||
| NORM | 1.000000 | < R > | 6.478151 | < R2 > | 47.234072 | < 1/R > | .204112 | < 1/R**2 > | .124230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.656353 | -.13020574 |
| 2 | 1s | 9.719726 | .18026134 |
| 3 | 1s | 23.029993 | .00155448 |
| 4 | 2s | 4.400833 | -.30595039 |
| 5 | 3s | 1.739303 | .87944716 |
| 6 | 4s | 2.941774 | .18216412 |
| 7 | 5s | 47.877609 | -.00009137 |
| 8 | 5s | 1.483477 | .01045316 |
| 9 | 3s | 48.041271 | -.00005268 |
| ORB.ENERGY,a.u. | -.961360 | ||
| NORM | 1.000000 | < R > | 1.995490 | < R2 > | 4.552080 | < 1/R > | .665642 | < 1/R**2 > | 2.475499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.109087 | .48680564 |
| 2 | 3p | 5.418824 | .48561424 |
| 3 | 4p | 4.283292 | .12607302 |
| 4 | 5p | 2.947244 | .00328319 |
| 5 | 2p | 13.301821 | .01264122 |
| 6 | 5p | 28.585145 | -.00067216 |
| 7 | 4p | 37.622596 | -.00020275 |
| 8 | 2p | 83.231718 | .00000163 |
| 9 | 4p | .724613 | -.00002404 |
| ORB.ENERGY,a.u. | -4.476200 | ||
| NORM | 1.000000 | < R > | .534767 | < R2 > | .358633 | < 1/R > | 2.458475 | < 1/R**2 > | 8.532600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.460378 | .34892212 |
| 2 | 2s | 4.946165 | -.76789688 |
| 3 | 3s | 4.404233 | -.17050077 |
| 4 | 3s | 19.344775 | .00625977 |
| 5 | 2s | 6.385273 | -.18247833 |
| 6 | 4s | 16.947502 | .00741860 |
| 7 | 5s | 49.294562 | -.00006798 |
| 8 | 4s | 3.651964 | -.00365816 |
| 9 | 2s | 51.283197 | .00005687 |
| 10 | 5s | 1.372221 | .00004278 |
| ORB.ENERGY,a.u. | -6.353600 | ||
| NORM | 1.000000 | < R > | .561951 | < R2 > | .375743 | < 1/R > | 2.594651 | < 1/R**2 > | 27.774576 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.578204 | 1.01498920 |
| 2 | 2s | 18.788878 | -.02462829 |
| 3 | 3s | 9.554325 | .02363867 |
| 4 | 4s | 51.663171 | -.00009278 |
| 5 | 4s | 26.601317 | .00104141 |
| 6 | 2s | 85.512005 | .00000893 |
| 7 | 5s | 11.821696 | -.00906584 |
| 8 | 3s | 4.267169 | .00016769 |
| ORB.ENERGY,a.u. | -68.392000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581871 | < 1/R**2 > | 372.412162 |
Total Energy= -288.21664667 a.u.
Kinetic Energy= 288.21665504 a.u.
Potential Energy= -576.43330171 a.u.
Virial Ratio = -1.99999997