(1s 2 2s 2 2p 2 5p 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 3.466387 | .35646740 |
| 2 | 3p | 1.956346 | -3.19892265 |
| 3 | 4p | 1.752122 | 7.14618503 |
| 4 | 5p | 1.668332 | -4.89732278 |
| 5 | 2p | 8.590311 | .03787304 |
| 6 | 5p | 32.086502 | -.00025121 |
| 7 | 5p | 1.336870 | -.01800785 |
| 8 | 4p | 49.688823 | -.00004017 |
| ORB.ENERGY,a.u. | -1.378500 | ||
| NORM | .999997 | < R > | 4.237956 | < R2 > | 20.191600 | < 1/R > | .332461 | < 1/R**2 > | .357996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.532318 | 1.25305777 |
| 2 | 3p | 7.309615 | -.31133082 |
| 3 | 4p | 9.288838 | .05731991 |
| 4 | 5p | 2.078180 | .07314599 |
| 5 | 4p | 1.535539 | -.07372040 |
| 6 | 5p | 27.871307 | -.00127217 |
| 7 | 4p | 35.170619 | -.00041965 |
| 8 | 3p | 36.957227 | -.00009847 |
| ORB.ENERGY,a.u. | -12.547000 | ||
| NORM | 1.000000 | < R > | .445773 | < R2 > | .244164 | < 1/R > | 2.853270 | < 1/R**2 > | 11.085292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235422 | .39973444 |
| 2 | 2s | 5.921001 | -.84564010 |
| 3 | 3s | 6.126524 | -.27718414 |
| 4 | 4s | 23.020130 | .00230400 |
| 5 | 3s | 13.535209 | .01587057 |
| 6 | 5s | 6.101062 | -.02987166 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506726 | < R2 > | .301253 | < 1/R > | 2.884326 | < 1/R**2 > | 33.800255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161775 | .92626991 |
| 2 | 1s | 20.401925 | .07282882 |
| 3 | 2s | 12.149105 | .01941320 |
| 4 | 3s | 15.602710 | -.01547475 |
| 5 | 5s | 32.755345 | .00104712 |
| 6 | 4s | 78.270600 | -.00004143 |
| 7 | 5s | 10.339879 | .00043604 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110794 | < R2 > | .016465 | < 1/R > | 13.629739 | < 1/R**2 > | 374.434981 |
Total Energy= -252.85821953 a.u.
Kinetic Energy= 252.84027355 a.u.
Potential Energy= -505.69849309 a.u.
Virial Ratio = -2.00007098