(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 3d | .301744 | .96106441 |
| 2 | 4d | .202890 | -4.85857713 |
| 3 | 5d | .205389 | 4.65486477 |
| 4 | 3d | .880286 | .23238986 |
| 5 | 4d | 1.153869 | -.25601086 |
| 6 | 5d | 1.424083 | .08291666 |
| 7 | 3d | 5.149780 | .00102033 |
| ORB.ENERGY,a.u. | -.021074 | ||
| NORM | .999985 | < R > | 32.485085 | < R2 > | 1202.760017 | < 1/R > | .044376 | < 1/R**2 > | .004665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.463432 | .23915437 |
| 2 | 2p | .992743 | -.85913659 |
| 3 | 3p | 1.676445 | -.24257834 |
| 4 | 2p | 6.909816 | .10661802 |
| 5 | 3p | 9.244932 | -.01242536 |
| 6 | 4p | 1.230331 | -.00536025 |
| 7 | 4p | 24.084373 | -.00044116 |
| 8 | 5p | 70.173337 | -.00001454 |
| 9 | 5p | 1.188666 | .05124938 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.471877 | < R2 > | 7.109339 | < 1/R > | .529261 | < 1/R**2 > | .616232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.837551 | -.14202869 |
| 2 | 1s | 9.522041 | .18628210 |
| 3 | 1s | 22.407254 | .00187191 |
| 4 | 2s | 4.351707 | -.28709528 |
| 5 | 3s | 1.702934 | .84955297 |
| 6 | 4s | 3.021465 | .16697943 |
| 7 | 5s | 1.549604 | .07177941 |
| 8 | 4s | 43.795066 | -.00007144 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093125 | < R2 > | 5.047282 | < 1/R > | .634317 | < 1/R**2 > | 2.226717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .851371 | .00011522 |
| 2 | 2p | 7.176923 | .48232643 |
| 3 | 3p | 5.436482 | .49328858 |
| 4 | 4p | 4.265899 | .12705680 |
| 5 | 5p | 2.749262 | .00337333 |
| 6 | 2p | 14.231932 | .00945140 |
| 7 | 5p | 31.546341 | -.00045754 |
| 8 | 4p | 45.419252 | -.00008183 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535254 | < R2 > | .359443 | < 1/R > | 2.456941 | < 1/R**2 > | 8.523722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398889 | .35141764 |
| 2 | 2s | 4.934881 | -.77287150 |
| 3 | 3s | 4.398281 | -.16878931 |
| 4 | 4s | 21.973870 | .00177918 |
| 5 | 2s | 6.453940 | -.18123655 |
| 6 | 3s | 14.464020 | .01041262 |
| 7 | 4s | 3.415608 | -.00406466 |
| 8 | 4s | 61.723093 | -.00002055 |
| 9 | 5s | 1.700085 | -.00007798 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562536 | < R2 > | .376640 | < 1/R > | 2.592150 | < 1/R**2 > | 27.725546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577897 | 1.01499703 |
| 2 | 2s | 18.820623 | -.02466593 |
| 3 | 3s | 9.622410 | .02347135 |
| 4 | 4s | 48.621685 | -.00008124 |
| 5 | 4s | 27.354775 | .00097346 |
| 6 | 2s | 69.811197 | .00001918 |
| 7 | 5s | 11.890686 | -.00876339 |
| 8 | 3s | 2.583864 | .00063322 |
| 9 | 4s | 2.958010 | -.00051823 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581447 | < 1/R**2 > | 372.394523 |
Total Energy= -288.59444846 a.u.
Kinetic Energy= 288.59420816 a.u.
Potential Energy= -577.18865661 a.u.
Virial Ratio = -2.00000083