(1s 2 2s 2 2p 4 3p 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 3.716322 | .35816422 |
| 2 | 3p | 2.232001 | -.97866149 |
| 3 | 4p | 2.718075 | -.17331446 |
| 4 | 2p | 8.494116 | .06648580 |
| 5 | 5p | 12.303913 | .00254967 |
| 6 | 5p | 31.269350 | -.00035043 |
| 7 | 4p | 46.634837 | -.00006972 |
| ORB.ENERGY,a.u. | -2.487400 | ||
| NORM | 1.000000 | < R > | 1.706763 | < R2 > | 3.274068 | < 1/R > | .732998 | < 1/R**2 > | 1.024006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.011367 | 1.46036598 |
| 2 | 3p | 6.592838 | -.59552526 |
| 3 | 4p | 8.272954 | .12979295 |
| 4 | 5p | 2.883062 | -.02129252 |
| 5 | 5p | 16.355695 | .00579382 |
| 6 | 4p | 36.852981 | -.00010971 |
| 7 | 4p | 1.432418 | -.00035753 |
| ORB.ENERGY,a.u. | -8.086200 | ||
| NORM | 1.000000 | < R > | .479277 | < R2 > | .280732 | < 1/R > | 2.674090 | < 1/R**2 > | 9.856561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.317719 | .37388184 |
| 2 | 2s | 5.734334 | -.83966249 |
| 3 | 3s | 5.172215 | -.29584630 |
| 4 | 4s | 16.155932 | .00790545 |
| 5 | 3s | 18.141062 | .00581829 |
| 6 | 5s | 29.328774 | .00065216 |
| 7 | 5s | 4.642900 | -.00556710 |
| 8 | 3s | 45.127761 | -.00006537 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534521 | < R2 > | .337336 | < 1/R > | 2.728259 | < 1/R**2 > | 30.485653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202750 | .91835533 |
| 2 | 1s | 19.510592 | .07872538 |
| 3 | 2s | 8.114446 | .01961962 |
| 4 | 3s | 9.892887 | -.01998062 |
| 5 | 4s | 12.117937 | .00963704 |
| 6 | 5s | 33.742010 | .00080659 |
| 7 | 4s | 74.209533 | -.00004308 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111188 | < R2 > | .016610 | < 1/R > | 13.599286 | < 1/R**2 > | 373.145040 |
Total Energy= -274.17974041 a.u.
Kinetic Energy= 274.10249284 a.u.
Potential Energy= -548.28223326 a.u.
Virial Ratio = -2.00028182