(1s 2 2s 2 2p 3 4p 1 ) 5 P Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 6.730390 | .19668144 |
| 2 | 3p | 1.483778 | 2.16772994 |
| 3 | 4p | 2.871205 | -1.54666076 |
| 4 | 5p | 5.144794 | -.15154500 |
| 5 | 3p | 14.057447 | -.00280682 |
| 6 | 5p | 1.456336 | -.36038586 |
| 7 | 4p | 1.115605 | .13400429 |
| 8 | 5p | 14.329796 | .00060476 |
| 9 | 3p | .705192 | -.01274398 |
| ORB.ENERGY,a.u. | -1.785600 | ||
| NORM | 1.000000 | < R > | 2.819833 | < R2 > | 8.990018 | < 1/R > | .499524 | < 1/R**2 > | .718629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.245185 | 1.36488365 |
| 2 | 3p | 6.622745 | -.44860935 |
| 3 | 4p | 7.925450 | .08170639 |
| 4 | 5p | 32.390347 | -.00018890 |
| 5 | 4p | 3.199412 | .01608768 |
| 6 | 3p | 14.514657 | -.00739108 |
| 7 | 5p | 3.380576 | -.01086209 |
| ORB.ENERGY,a.u. | -10.684000 | ||
| NORM | 1.000000 | < R > | .462987 | < R2 > | .261879 | < 1/R > | 2.760201 | < 1/R**2 > | 10.442790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.199130 | .39068824 |
| 2 | 2s | 5.870325 | -.85082414 |
| 3 | 3s | 5.582607 | -.28565124 |
| 4 | 4s | 23.637675 | .00219483 |
| 5 | 3s | 12.981506 | .01788698 |
| 6 | 5s | 5.742462 | -.01819564 |
| 7 | 4s | 1.648045 | .00016998 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .520203 | < R2 > | .318387 | < 1/R > | 2.805817 | < 1/R**2 > | 32.114201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.170205 | .92666619 |
| 2 | 1s | 20.339008 | .07189761 |
| 3 | 2s | 11.795218 | .01818684 |
| 4 | 3s | 16.617334 | -.01485262 |
| 5 | 4s | 25.855230 | .00300552 |
| 6 | 5s | 48.231820 | .00008425 |
| 7 | 5s | 10.182362 | .00069929 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111008 | < R2 > | .016543 | < 1/R > | 13.613065 | < 1/R**2 > | 373.726823 |
Total Energy= -264.39685512 a.u.
Kinetic Energy= 264.41353492 a.u.
Potential Energy= -528.81039004 a.u.
Virial Ratio = -1.99993692