(1s 2 2s 2 2p 5 3p 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 4.072546 | .44520677 |
| 2 | 3p | 2.022940 | -1.10041726 |
| 3 | 4p | 6.345237 | -.08081761 |
| 4 | 2p | 10.544147 | .03298199 |
| 5 | 5p | 16.829338 | .00352065 |
| 6 | 5p | 1.322641 | -.01522419 |
| 7 | 4p | 1.164174 | .01699534 |
| 8 | 4p | 23.527470 | .00062344 |
| 9 | 3p | 41.445353 | .00002464 |
| ORB.ENERGY,a.u. | -1.901600 | ||
| NORM | 1.000000 | < R > | 1.816188 | < R2 > | 3.766741 | < 1/R > | .730621 | < 1/R**2 > | 1.164625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.297222 | 1.26010050 |
| 2 | 3p | 5.039197 | -.35188718 |
| 3 | 2p | 10.302617 | .08685330 |
| 4 | 4p | 12.281443 | .01661664 |
| 5 | 5p | 79.238960 | .00001125 |
| 6 | 5p | 3.117559 | .00086831 |
| ORB.ENERGY,a.u. | -6.737700 | ||
| NORM | 1.000000 | < R > | .507855 | < R2 > | .319911 | < 1/R > | 2.559864 | < 1/R**2 > | 9.149538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.402280 | .36018278 |
| 2 | 2s | 5.632758 | -.82980691 |
| 3 | 3s | 4.887318 | -.30203861 |
| 4 | 4s | 17.553877 | .00444309 |
| 5 | 3s | 16.264334 | .00690429 |
| 6 | 5s | 34.731084 | .00038292 |
| 7 | 5s | 4.119639 | -.00385009 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .548431 | < R2 > | .356439 | < 1/R > | 2.658037 | < 1/R**2 > | 29.044346 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198350 | .91859874 |
| 2 | 1s | 19.537153 | .07830307 |
| 3 | 2s | 7.813333 | .02030450 |
| 4 | 3s | 9.763875 | -.02095763 |
| 5 | 4s | 12.272205 | .01076555 |
| 6 | 5s | 33.377458 | .00082220 |
| 7 | 4s | 74.844881 | -.00004420 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111323 | < R2 > | .016660 | < 1/R > | 13.589132 | < 1/R**2 > | 372.718301 |
Total Energy= -281.01619851 a.u.
Kinetic Energy= 281.00280634 a.u.
Potential Energy= -562.01900485 a.u.
Virial Ratio = -2.00004766