(1s 2 2s 2 2p 2 5d 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 2.032946 | 1.54717906 |
| 2 | 4d | 1.749338 | -4.23509181 |
| 3 | 5d | 1.597405 | 3.35188069 |
| 4 | 3d | 4.787676 | .05254021 |
| 5 | 5d | 7.412520 | -.01105627 |
| 6 | 4d | 22.656863 | .00016324 |
| 7 | 5d | 1.150338 | -.00739338 |
| 8 | 5d | 75.943892 | .00000855 |
| ORB.ENERGY,a.u. | -1.312300 | ||
| NORM | 1.000003 | < R > | 4.193434 | < R2 > | 19.978058 | < 1/R > | .333567 | < 1/R**2 > | .232990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.266908 | 1.11456344 |
| 2 | 3p | 6.037290 | -.15717230 |
| 3 | 2p | 12.002398 | .03825428 |
| 4 | 4p | 13.236824 | .01010217 |
| 5 | 5p | 30.950051 | -.00023182 |
| 6 | 5p | 1.416127 | -.00168504 |
| 7 | 4p | 1.203131 | .00169614 |
| ORB.ENERGY,a.u. | -12.556000 | ||
| NORM | 1.000000 | < R > | .446395 | < R2 > | .242344 | < 1/R > | 2.847704 | < 1/R**2 > | 11.048806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.237323 | .39966940 |
| 2 | 2s | 5.920690 | -.84556720 |
| 3 | 3s | 6.123989 | -.27717581 |
| 4 | 4s | 23.083471 | .00220932 |
| 5 | 3s | 13.614978 | .01573618 |
| 6 | 5s | 6.096265 | -.02965509 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506690 | < R2 > | .301217 | < 1/R > | 2.884574 | < 1/R**2 > | 33.805210 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162257 | .92626887 |
| 2 | 1s | 20.402921 | .07282251 |
| 3 | 2s | 12.173609 | .01939738 |
| 4 | 3s | 15.603237 | -.01547402 |
| 5 | 5s | 32.805892 | .00104582 |
| 6 | 4s | 78.171861 | -.00004115 |
| 7 | 5s | 10.247527 | .00045219 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016463 | < 1/R > | 13.630405 | < 1/R**2 > | 374.464061 |
Total Energy= -252.77973300 a.u.
Kinetic Energy= 252.77461579 a.u.
Potential Energy= -505.55434879 a.u.
Virial Ratio = -2.00002024