(1s 2 2s 2 2p 3 3s 1 ) 3 S Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 11.537435 | .14278777 |
| 2 | 2s | 4.012887 | -.74574766 |
| 3 | 3s | 2.761201 | 1.36336390 |
| 4 | 4s | 10.832579 | -.01657678 |
| 5 | 5s | 17.686901 | -.00252541 |
| 6 | 3s | 97.024974 | .00000549 |
| 7 | 5s | 2.724568 | -.00478164 |
| ORB.ENERGY,a.u. | -3.695900 | ||
| NORM | 1.000000 | < R > | 1.453244 | < R2 > | 2.372569 | < 1/R > | .930954 | < 1/R**2 > | 4.911364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.241880 | 1.36139077 |
| 2 | 3p | 6.694139 | -.45991712 |
| 3 | 4p | 8.125094 | .09388330 |
| 4 | 5p | 23.865028 | -.00230576 |
| 5 | 4p | 3.378331 | .01105180 |
| 6 | 4p | 30.362018 | -.00127558 |
| 7 | 5p | 3.410281 | -.00652809 |
| 8 | 3p | 2.020095 | .00073729 |
| 9 | 3p | 40.656016 | -.00013224 |
| ORB.ENERGY,a.u. | -10.258000 | ||
| NORM | 1.000000 | < R > | .464275 | < R2 > | .263353 | < 1/R > | 2.753187 | < 1/R**2 > | 10.394155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.221519 | .34522489 |
| 2 | 2s | 5.015727 | -.79363895 |
| 3 | 3s | 7.855095 | -.25624871 |
| 4 | 4s | 22.815997 | .00349464 |
| 5 | 3s | 2.541741 | .01893042 |
| 6 | 5s | 7.240919 | -.04524086 |
| 7 | 2s | 32.849317 | -.00011414 |
| 8 | 4s | 2.092939 | -.00115026 |
| 9 | 5s | 61.239334 | .00001809 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .515405 | < R2 > | .311398 | < 1/R > | 2.827754 | < 1/R**2 > | 32.558593 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.177661 | .93484530 |
| 2 | 1s | 21.236641 | .06294631 |
| 3 | 2s | 14.376300 | .01722308 |
| 4 | 3s | 18.253433 | -.01369102 |
| 5 | 4s | 27.813483 | .00253740 |
| 6 | 5s | 3.601479 | -.00102250 |
| 7 | 5s | 12.420207 | .00243615 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111032 | < R2 > | .016554 | < 1/R > | 13.611409 | < 1/R**2 > | 373.655562 |
Total Energy= -266.36970710 a.u.
Kinetic Energy= 266.31759641 a.u.
Potential Energy= -532.68730352 a.u.
Virial Ratio = -2.00019567