(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | .321582 | 1.05744933 |
| 2 | 4d | .564425 | -.05590682 |
| 3 | 3d | 1.582937 | .02018846 |
| 4 | 4d | 1.677349 | -.00943446 |
| 5 | 5d | 1.125333 | -.01584940 |
| 6 | 3d | 5.122055 | .00077012 |
| ORB.ENERGY,a.u. | -.052799 | ||
| NORM | 1.000000 | < R > | 11.132362 | < R2 > | 141.086795 | < 1/R > | .104616 | < 1/R**2 > | .013274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.468609 | .25025798 |
| 2 | 2p | 1.053246 | -.82868730 |
| 3 | 3p | 1.568365 | -.25079747 |
| 4 | 2p | 7.034277 | .10155043 |
| 5 | 3p | 9.717931 | -.00986699 |
| 6 | 4p | .850313 | .01103706 |
| 7 | 4p | 25.093471 | -.00034391 |
| 8 | 5p | 75.261390 | -.00000958 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.458211 | < R2 > | 7.020606 | < 1/R > | .531892 | < 1/R**2 > | .622293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.357201 | -.16173873 |
| 2 | 1s | 9.464916 | .18713100 |
| 3 | 1s | 21.608022 | .00222888 |
| 4 | 2s | 4.212911 | -.27229892 |
| 5 | 3s | 1.729138 | .86761317 |
| 6 | 4s | 3.096941 | .14437671 |
| 7 | 5s | 1.563437 | .08363888 |
| 8 | 4s | 45.208291 | -.00005992 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093876 | < R2 > | 5.051449 | < 1/R > | .634106 | < 1/R**2 > | 2.225116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177020 | .48230338 |
| 2 | 3p | 5.436492 | .49331157 |
| 3 | 4p | 4.265609 | .12706817 |
| 4 | 5p | 2.745306 | .00338403 |
| 5 | 2p | 14.231624 | .00945149 |
| 6 | 5p | 31.545719 | -.00045774 |
| 7 | 4p | 45.422688 | -.00008184 |
| 8 | 3p | .835672 | .00011292 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535266 | < R2 > | .359463 | < 1/R > | 2.456905 | < 1/R**2 > | 8.523518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398794 | .35141730 |
| 2 | 2s | 4.934852 | -.77287430 |
| 3 | 3s | 4.398129 | -.16879229 |
| 4 | 4s | 21.972340 | .00177924 |
| 5 | 2s | 6.454045 | -.18123679 |
| 6 | 3s | 14.461765 | .01041503 |
| 7 | 4s | 3.413848 | -.00407214 |
| 8 | 4s | 61.892912 | -.00002058 |
| 9 | 5s | 1.685852 | -.00007696 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562545 | < R2 > | .376652 | < 1/R > | 2.592115 | < 1/R**2 > | 27.724866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577894 | 1.01499692 |
| 2 | 2s | 18.820766 | -.02466581 |
| 3 | 3s | 9.622251 | .02347187 |
| 4 | 4s | 48.610861 | -.00008122 |
| 5 | 4s | 27.353993 | .00097347 |
| 6 | 2s | 69.805202 | .00001920 |
| 7 | 5s | 11.890402 | -.00876367 |
| 8 | 3s | 2.583674 | .00063312 |
| 9 | 4s | 2.957819 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581441 | < 1/R**2 > | 372.394256 |
Total Energy= -288.63070221 a.u.
Kinetic Energy= 288.62592603 a.u.
Potential Energy= -577.25662824 a.u.
Virial Ratio = -2.00001655