(1s 2 2s 2 2p 5 5s 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 12.162256 | .04377089 |
| 2 | 2s | 3.740446 | -.22251800 |
| 3 | 3s | 1.856304 | 1.20613896 |
| 4 | 4s | 1.349706 | -2.96405907 |
| 5 | 5s | 1.157172 | 2.56946686 |
| 6 | 5s | 11.568179 | -.01248805 |
| 7 | 4s | 14.942879 | -.00890922 |
| 8 | 5s | 37.981951 | -.00031190 |
| 9 | 4s | 56.276235 | -.00007744 |
| ORB.ENERGY,a.u. | -.653820 | ||
| NORM | .999997 | < R > | 5.759076 | < R2 > | 37.128850 | < 1/R > | .243690 | < 1/R**2 > | .557480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.358954 | 1.25428173 |
| 2 | 3p | 5.165135 | -.33782015 |
| 3 | 2p | 10.445918 | .08005632 |
| 4 | 5p | 76.117809 | .00001282 |
| 5 | 4p | 12.417590 | .01570633 |
| 6 | 5p | 3.034084 | .00045051 |
| ORB.ENERGY,a.u. | -7.247300 | ||
| NORM | 1.000000 | < R > | .506722 | < R2 > | .318236 | < 1/R > | 2.564024 | < 1/R**2 > | 9.174876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.550396 | .31279793 |
| 2 | 2s | 4.584270 | -.77548631 |
| 3 | 3s | 7.999024 | -.23135513 |
| 4 | 4s | 6.230561 | -.05571576 |
| 5 | 5s | 16.645801 | -.00842437 |
| 6 | 5s | .974789 | .03471070 |
| 7 | 4s | .815116 | -.03781596 |
| 8 | 3s | 41.366175 | -.00007551 |
| 9 | 2s | .338254 | .00763828 |
| 10 | 3s | .340433 | -.00311395 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .546745 | < R2 > | .354196 | < 1/R > | 2.665816 | < 1/R**2 > | 29.199423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199179 | .91860745 |
| 2 | 1s | 19.555648 | .07818400 |
| 3 | 2s | 8.166080 | .01963159 |
| 4 | 3s | 10.259731 | -.01971142 |
| 5 | 4s | 12.665163 | .01026350 |
| 6 | 5s | 33.603250 | .00086565 |
| 7 | 4s | 76.650339 | -.00003907 |
| 8 | 5s | .780101 | -.00168099 |
| 9 | 4s | .637824 | .00153933 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111309 | < R2 > | .016657 | < 1/R > | 13.590310 | < 1/R**2 > | 372.768447 |
Total Energy= -279.75852553 a.u.
Kinetic Energy= 279.75508543 a.u.
Potential Energy= -559.51361097 a.u.
Virial Ratio = -2.00001230