(1s 2 2s 2 2p 5 5p 1 ) 3 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 3.924790 | .13931937 |
| 2 | 3p | 1.514752 | -1.65519354 |
| 3 | 4p | 1.346826 | 3.16943410 |
| 4 | 5p | 1.059542 | -2.27180909 |
| 5 | 5p | .768510 | .10968331 |
| 6 | 2p | 8.109693 | .03921206 |
| 7 | 5p | 12.255528 | .00287630 |
| 8 | 4p | 30.086074 | -.00013221 |
| 9 | 4p | .608604 | -.04864075 |
| ORB.ENERGY,a.u. | -.598310 | ||
| NORM | 1.000001 | < R > | 6.095526 | < R2 > | 41.775446 | < 1/R > | .234599 | < 1/R**2 > | .210779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.350227 | 1.25234146 |
| 2 | 3p | 5.150231 | -.33748090 |
| 3 | 2p | 10.378164 | .08216590 |
| 4 | 3p | 42.917587 | .00002807 |
| 5 | 4p | 12.320491 | .01584763 |
| 6 | 5p | 2.704661 | .00304707 |
| 7 | 4p | .917272 | .00045240 |
| 8 | 3p | 1.726779 | -.00329231 |
| ORB.ENERGY,a.u. | -7.246900 | ||
| NORM | 1.000000 | < R > | .506719 | < R2 > | .318242 | < 1/R > | 2.564086 | < 1/R**2 > | 9.175404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.401899 | .36096457 |
| 2 | 2s | 5.637820 | -.82971292 |
| 3 | 3s | 4.915661 | -.30112839 |
| 4 | 4s | 17.805090 | .00456743 |
| 5 | 3s | 16.409795 | .00657854 |
| 6 | 5s | 35.333946 | .00034356 |
| 7 | 5s | 4.836538 | -.00384217 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547132 | < R2 > | .354508 | < 1/R > | 2.663814 | < 1/R**2 > | 29.158844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199466 | .91834294 |
| 2 | 1s | 19.515978 | .07854965 |
| 3 | 2s | 7.790002 | .02030323 |
| 4 | 3s | 9.780764 | -.02092662 |
| 5 | 4s | 12.337989 | .01065365 |
| 6 | 5s | 33.327331 | .00087979 |
| 7 | 4s | 77.789224 | -.00004039 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111310 | < R2 > | .016655 | < 1/R > | 13.590232 | < 1/R**2 > | 372.765199 |
Total Energy= -279.69758922 a.u.
Kinetic Energy= 279.70016050 a.u.
Potential Energy= -559.39774972 a.u.
Virial Ratio = -1.99999081