(1s 2 2s 2 2p 2 3p 1 ) 4 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 2p | 3.972764 | .65515813 |
| 2 | 3p | 2.887540 | -1.35001859 |
| 3 | 2p | 10.956839 | .02739074 |
| 4 | 4p | 6.836824 | -.04387198 |
| 5 | 5p | 17.125693 | .00230079 |
| 6 | 5p | 4.352384 | .00773945 |
| 7 | 4p | 22.896206 | .00013740 |
| ORB.ENERGY,a.u. | -4.130900 | ||
| NORM | 1.000000 | < R > | 1.378767 | < R2 > | 2.133936 | < 1/R > | .911514 | < 1/R**2 > | 1.546918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.386385 | 1.36659599 |
| 2 | 3p | 7.075527 | -.41375678 |
| 3 | 2p | 1.919815 | -.12070399 |
| 4 | 4p | 8.989976 | .09322850 |
| 5 | 5p | 17.550196 | .00391542 |
| 6 | 3p | 1.820852 | .04203235 |
| 7 | 3p | 17.470904 | -.00058976 |
| 8 | 4p | 1.416742 | -.00707323 |
| 9 | 4p | 1.195480 | .00269675 |
| ORB.ENERGY,a.u. | -11.885000 | ||
| NORM | 1.000000 | < R > | .435215 | < R2 > | .228361 | < 1/R > | 2.893692 | < 1/R**2 > | 11.325974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.261638 | .39694224 |
| 2 | 2s | 5.890706 | -.84548524 |
| 3 | 3s | 6.074535 | -.27725731 |
| 4 | 4s | 22.926178 | .00231556 |
| 5 | 3s | 13.667324 | .01475705 |
| 6 | 5s | 5.807271 | -.02740002 |
| 7 | 5s | 2.520124 | -.00008114 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508564 | < R2 > | .303670 | < 1/R > | 2.874080 | < 1/R**2 > | 33.581445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159270 | .92704851 |
| 2 | 1s | 20.476858 | .07207002 |
| 3 | 2s | 12.270115 | .01938447 |
| 4 | 3s | 15.687089 | -.01542286 |
| 5 | 5s | 32.628483 | .00094633 |
| 6 | 4s | 73.903546 | -.00005050 |
| 7 | 5s | 11.462229 | .00057800 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110826 | < R2 > | .016476 | < 1/R > | 13.627113 | < 1/R**2 > | 374.321905 |
Total Energy= -255.61413784 a.u.
Kinetic Energy= 255.59081161 a.u.
Potential Energy= -511.20494945 a.u.
Virial Ratio = -2.00009126