(1s 2 2s 2 2p 3 5p 1 ) 5 P Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 5p- electron | |
| 1 | 2p | 3.945742 | .22606726 |
| 2 | 3p | 1.869187 | -2.31849091 |
| 3 | 4p | 1.666453 | 4.90230935 |
| 4 | 5p | 1.488851 | -3.26688120 |
| 5 | 2p | 7.875093 | .05256913 |
| 6 | 5p | 23.789930 | -.00084268 |
| 7 | 4p | 34.804928 | -.00023552 |
| 8 | 5p | 1.358410 | -.11908735 |
| ORB.ENERGY,a.u. | -1.104400 | ||
| NORM | .999998 | < R > | 4.629226 | < R2 > | 24.090084 | < 1/R > | .310339 | < 1/R**2 > | .349718 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.250571 | 1.36197326 |
| 2 | 3p | 6.698691 | -.45597498 |
| 3 | 4p | 8.178210 | .08986469 |
| 4 | 5p | 23.386604 | -.00267595 |
| 5 | 4p | 3.331505 | .01015017 |
| 6 | 4p | 30.606836 | -.00138313 |
| 7 | 5p | 3.411494 | -.00595339 |
| 8 | 3p | 1.417458 | .00027010 |
| 9 | 3p | 43.865962 | -.00011160 |
| ORB.ENERGY,a.u. | -10.862000 | ||
| NORM | 1.000000 | < R > | .462674 | < R2 > | .261470 | < 1/R > | 2.761558 | < 1/R**2 > | 10.451460 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.218072 | .38999809 |
| 2 | 2s | 5.858042 | -.85052909 |
| 3 | 3s | 5.576795 | -.28547852 |
| 4 | 4s | 23.324525 | .00215957 |
| 5 | 3s | 13.290060 | .01639651 |
| 6 | 5s | 5.710518 | -.01548823 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .519800 | < R2 > | .317849 | < 1/R > | 2.807968 | < 1/R**2 > | 32.159440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.170688 | .92666051 |
| 2 | 1s | 20.338100 | .07189764 |
| 3 | 2s | 11.808683 | .01817723 |
| 4 | 3s | 16.614377 | -.01485305 |
| 5 | 4s | 25.864785 | .00300555 |
| 6 | 5s | 48.108542 | .00008444 |
| 7 | 5s | 10.129675 | .00070512 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111002 | < R2 > | .016541 | < 1/R > | 13.613578 | < 1/R**2 > | 373.748978 |
Total Energy= -263.72512871 a.u.
Kinetic Energy= 263.73279267 a.u.
Potential Energy= -527.45792138 a.u.
Virial Ratio = -1.99997094