(1s 2 2s 2 2p 4 4p 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 6.411625 | .15263829 |
| 2 | 3p | 1.333178 | 2.25748798 |
| 3 | 4p | 2.424261 | -1.69167081 |
| 4 | 5p | 4.376783 | -.19016486 |
| 5 | 3p | 9.962390 | -.00873856 |
| 6 | 5p | 1.266778 | -.15611119 |
| 7 | 4p | 28.822249 | -.00013526 |
| 8 | 4p | .791175 | .02765701 |
| 9 | 3p | .568180 | -.01061439 |
| ORB.ENERGY,a.u. | -1.312600 | ||
| NORM | .999999 | < R > | 3.290332 | < R2 > | 12.217874 | < 1/R > | .410626 | < 1/R**2 > | .436646 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.840055 | 1.27345532 |
| 2 | 3p | 5.976843 | -.30357637 |
| 3 | 2p | 14.415593 | .02068381 |
| 4 | 4p | 15.227698 | .01356040 |
| 5 | 5p | 1.800669 | .01999794 |
| 6 | 4p | 2.207812 | -.01041071 |
| 7 | 3p | 20.529790 | .00246446 |
| ORB.ENERGY,a.u. | -8.517200 | ||
| NORM | 1.000000 | < R > | .483378 | < R2 > | .288634 | < 1/R > | 2.664076 | < 1/R**2 > | 9.806794 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.334707 | .37374197 |
| 2 | 2s | 5.738782 | -.84035298 |
| 3 | 3s | 5.180610 | -.29605061 |
| 4 | 4s | 16.283212 | .00811204 |
| 5 | 3s | 18.243505 | .00656459 |
| 6 | 5s | 30.178542 | .00049075 |
| 7 | 5s | 4.539094 | -.00592056 |
| 8 | 4s | 3.326184 | .00209740 |
| 9 | 2s | 59.716116 | .00001712 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533477 | < R2 > | .335870 | < 1/R > | 2.733421 | < 1/R**2 > | 30.591547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.203997 | .91799732 |
| 2 | 1s | 19.483405 | .07906003 |
| 3 | 2s | 8.066837 | .01966092 |
| 4 | 3s | 9.913848 | -.01995189 |
| 5 | 4s | 12.238406 | .00946958 |
| 6 | 5s | 33.770315 | .00088548 |
| 7 | 4s | 77.883691 | -.00003617 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111174 | < R2 > | .016605 | < 1/R > | 13.600407 | < 1/R**2 > | 373.192768 |
Total Energy= -272.95875166 a.u.
Kinetic Energy= 272.92830398 a.u.
Potential Energy= -545.88705564 a.u.
Virial Ratio = -2.00011156