(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 4d | 1.212478 | -.27956746 |
| 2 | 5d | 1.470157 | .08397921 |
| 3 | 3d | 5.127534 | .00180736 |
| 4 | 3d | .399535 | .47596731 |
| 5 | 4d | .199004 | -4.85935388 |
| 6 | 5d | .212837 | 5.14921351 |
| 7 | 3d | .955327 | .30473880 |
| ORB.ENERGY,a.u. | -.022631 | ||
| NORM | 1.000031 | < R > | 29.953762 | < R2 > | 1026.279644 | < 1/R > | .050278 | < 1/R**2 > | .006995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.477764 | .24641191 |
| 2 | 2p | 1.038636 | -.83077538 |
| 3 | 3p | 1.588915 | -.24518028 |
| 4 | 2p | 7.042466 | .10019601 |
| 5 | 3p | 9.729082 | -.00967785 |
| 6 | 4p | .895798 | .00718138 |
| 7 | 4p | 25.026803 | -.00034345 |
| 8 | 5p | 74.740119 | -.00000975 |
| 9 | 5p | .436484 | .00035614 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.478338 | < R2 > | 7.150521 | < 1/R > | .527992 | < 1/R**2 > | .613297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.839197 | -.14198477 |
| 2 | 1s | 9.522261 | .18623878 |
| 3 | 1s | 22.407378 | .00186955 |
| 4 | 2s | 4.351489 | -.28699835 |
| 5 | 3s | 1.702300 | .84931058 |
| 6 | 4s | 3.022727 | .16711132 |
| 7 | 5s | 1.547040 | .07210906 |
| 8 | 4s | 43.899843 | -.00007114 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.094037 | < R2 > | 5.052285 | < 1/R > | .634071 | < 1/R**2 > | 2.224938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .862123 | .00011772 |
| 2 | 2p | 7.176907 | .48233482 |
| 3 | 3p | 5.436506 | .49328003 |
| 4 | 4p | 4.266038 | .12705150 |
| 5 | 5p | 2.751020 | .00336825 |
| 6 | 2p | 14.232021 | .00945143 |
| 7 | 5p | 31.547833 | -.00045740 |
| 8 | 4p | 45.417117 | -.00008182 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535247 | < R2 > | .359432 | < 1/R > | 2.456965 | < 1/R**2 > | 8.523862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398902 | .35141854 |
| 2 | 2s | 4.934898 | -.77287075 |
| 3 | 3s | 4.398306 | -.16878898 |
| 4 | 4s | 21.970906 | .00177876 |
| 5 | 2s | 6.453914 | -.18123665 |
| 6 | 3s | 14.465355 | .01041178 |
| 7 | 4s | 3.416098 | -.00406245 |
| 8 | 4s | 61.712028 | -.00002058 |
| 9 | 5s | 1.704694 | -.00007951 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562534 | < R2 > | .376636 | < 1/R > | 2.592161 | < 1/R**2 > | 27.725763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577899 | 1.01499698 |
| 2 | 2s | 18.820562 | -.02466586 |
| 3 | 3s | 9.622482 | .02347112 |
| 4 | 4s | 48.627353 | -.00008125 |
| 5 | 4s | 27.354874 | .00097347 |
| 6 | 2s | 69.814634 | .00001917 |
| 7 | 5s | 11.890815 | -.00876327 |
| 8 | 3s | 2.583766 | .00063329 |
| 9 | 4s | 2.957930 | -.00051824 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581450 | < 1/R**2 > | 372.394644 |
Total Energy= -288.59433392 a.u.
Kinetic Energy= 288.59574883 a.u.
Potential Energy= -577.19008276 a.u.
Virial Ratio = -1.99999510