(1s 2 2s 2 2p 3 4s 1 ) 3 S Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 11.622577 | .08820803 |
| 2 | 2s | 2.614312 | -1.31388087 |
| 3 | 3s | 2.572979 | 2.78507271 |
| 4 | 4s | 1.944060 | -1.91762150 |
| 5 | 5s | 3.743021 | -.17593216 |
| 6 | 4s | 12.149258 | -.01592334 |
| 7 | 5s | 15.639993 | .00220828 |
| 8 | 5s | 61.011435 | -.00004058 |
| 9 | 5s | 1.505378 | .00448440 |
| ORB.ENERGY,a.u. | -1.906900 | ||
| NORM | 1.000001 | < R > | 2.772137 | < R2 > | 8.624081 | < 1/R > | .503799 | < 1/R**2 > | 1.917095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.250019 | 1.36044791 |
| 2 | 3p | 6.691966 | -.45732190 |
| 3 | 4p | 8.135227 | .09245115 |
| 4 | 5p | 23.221711 | -.00245449 |
| 5 | 4p | 3.431952 | .01050382 |
| 6 | 4p | 29.484897 | -.00143814 |
| 7 | 5p | 3.527584 | -.00588058 |
| 8 | 3p | 1.974968 | .00054207 |
| 9 | 3p | 39.327377 | -.00015342 |
| ORB.ENERGY,a.u. | -10.672000 | ||
| NORM | 1.000000 | < R > | .463101 | < R2 > | .261970 | < 1/R > | 2.759250 | < 1/R**2 > | 10.435415 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.413486 | .38087551 |
| 2 | 2s | 5.654408 | -.88324485 |
| 3 | 3s | 5.411530 | -.29699910 |
| 4 | 4s | 6.314298 | .05045822 |
| 5 | 3s | 15.395388 | .01546510 |
| 6 | 5s | 2.175978 | -.01604164 |
| 7 | 2s | 43.339467 | .00011328 |
| 8 | 3s | 1.832618 | .01131376 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .518764 | < R2 > | .316838 | < 1/R > | 2.814223 | < 1/R**2 > | 32.293824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.166791 | .92629324 |
| 2 | 1s | 20.301470 | .07248310 |
| 3 | 2s | 11.524893 | .01846892 |
| 4 | 3s | 16.176855 | -.01494232 |
| 5 | 4s | 24.765657 | .00239380 |
| 6 | 5s | 40.145938 | .00030927 |
| 7 | 5s | 9.656237 | .00073231 |
| 8 | 4s | 1.807765 | .00338642 |
| 9 | 3s | 1.549270 | -.00302300 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111009 | < R2 > | .016547 | < 1/R > | 13.613101 | < 1/R**2 > | 373.728409 |
Total Energy= -264.55081827 a.u.
Kinetic Energy= 264.53301393 a.u.
Potential Energy= -529.08383220 a.u.
Virial Ratio = -2.00006730