(1s 2 2s 2 2p 2 4p 1 ) 2 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 6.445393 | .25160693 |
| 2 | 3p | 2.005209 | -.59236423 |
| 3 | 4p | 3.476011 | -.64034751 |
| 4 | 5p | 2.273811 | 1.36602180 |
| 5 | 5p | 8.602169 | .02522909 |
| 6 | 4p | 20.930420 | -.00211770 |
| 7 | 5p | 2.790441 | .31913808 |
| 8 | 5p | 49.713827 | -.00015603 |
| 9 | 4p | 76.906733 | -.00002967 |
| 10 | 4p | .646162 | .00022549 |
| ORB.ENERGY,a.u. | -2.274200 | ||
| NORM | 1.000000 | < R > | 2.534542 | < R2 > | 7.265034 | < 1/R > | .558434 | < 1/R**2 > | .884137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.288351 | 1.16027625 |
| 2 | 3p | 6.175235 | -.18836304 |
| 3 | 2p | 13.618467 | .02238899 |
| 4 | 4p | 15.768809 | .01015222 |
| 5 | 5p | 21.549267 | -.00187344 |
| 6 | 3p | 34.022265 | .00017386 |
| 7 | 5p | 1.839217 | -.00034686 |
| ORB.ENERGY,a.u. | -12.403000 | ||
| NORM | 1.000000 | < R > | .446681 | < R2 > | .242681 | < 1/R > | 2.846245 | < 1/R**2 > | 11.038858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.197067 | .40142337 |
| 2 | 2s | 5.951278 | -.84520099 |
| 3 | 3s | 6.162023 | -.27702757 |
| 4 | 4s | 23.605387 | .00229709 |
| 5 | 3s | 12.960692 | .01907202 |
| 6 | 5s | 6.186355 | -.03719096 |
| 7 | 4s | 1.706265 | .00015981 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507176 | < R2 > | .301828 | < 1/R > | 2.881719 | < 1/R**2 > | 33.743822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161132 | .92628787 |
| 2 | 1s | 20.404012 | .07281923 |
| 3 | 2s | 12.132583 | .01942308 |
| 4 | 3s | 15.605768 | -.01547412 |
| 5 | 5s | 32.736820 | .00104682 |
| 6 | 4s | 78.235101 | -.00004062 |
| 7 | 5s | 10.456724 | .00042583 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110802 | < R2 > | .016468 | < 1/R > | 13.629075 | < 1/R**2 > | 374.406094 |
Total Energy= -253.69794834 a.u.
Kinetic Energy= 253.73531137 a.u.
Potential Energy= -507.43325971 a.u.
Virial Ratio = -1.99985275