(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | .109510 | .13892394 |
| 2 | 5p | .662509 | .36993447 |
| 3 | 4p | 1.446290 | -.11349479 |
| 4 | 2p | 5.692622 | .01488200 |
| 5 | 5p | 3.241930 | -.02374569 |
| 6 | 3p | 8.407719 | -.00194696 |
| 7 | 4p | .296850 | -.36351132 |
| 8 | 3p | .323922 | .89885167 |
| 9 | 5p | .162261 | -.06446900 |
| 10 | 4p | 33.133675 | -.00001467 |
| ORB.ENERGY,a.u. | -.079251 | ||
| NORM | 1.000000 | < R > | 9.217799 | < R2 > | 93.973537 | < 1/R > | .121367 | < 1/R**2 > | .018407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.474813 | .25255656 |
| 2 | 2p | 1.045266 | -.84532392 |
| 3 | 3p | 1.578636 | -.25140033 |
| 4 | 2p | 7.039485 | .10236584 |
| 5 | 3p | 9.697898 | -.00995702 |
| 6 | 4p | .487181 | .09408822 |
| 7 | 4p | 24.881490 | -.00036109 |
| 8 | 5p | 73.651506 | -.00001053 |
| 9 | 5p | .865642 | .02685526 |
| 10 | 3p | .123122 | -.00053871 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.451248 | < R2 > | 7.325211 | < 1/R > | .537827 | < 1/R**2 > | .635158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.282427 | -.15857812 |
| 2 | 1s | 9.508245 | .18332851 |
| 3 | 1s | 21.860717 | .00210194 |
| 4 | 2s | 4.235379 | -.26864482 |
| 5 | 3s | 1.707629 | .86387042 |
| 6 | 4s | 3.075314 | .15696700 |
| 7 | 5s | 1.537623 | .07129704 |
| 8 | 4s | 44.516509 | -.00006265 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.094812 | < R2 > | 5.055718 | < 1/R > | .633739 | < 1/R**2 > | 2.221920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177131 | .48227356 |
| 2 | 3p | 5.436506 | .49333913 |
| 3 | 4p | 4.265380 | .12708000 |
| 4 | 5p | 2.743400 | .00339178 |
| 5 | 2p | 14.231253 | .00945199 |
| 6 | 5p | 31.545524 | -.00045780 |
| 7 | 4p | 45.424837 | -.00008185 |
| 8 | 3p | .811331 | .00010620 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535278 | < R2 > | .359482 | < 1/R > | 2.456862 | < 1/R**2 > | 8.523259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398788 | .35140823 |
| 2 | 2s | 4.934712 | -.77287335 |
| 3 | 3s | 4.398032 | -.16879365 |
| 4 | 4s | 21.981982 | .00177986 |
| 5 | 2s | 6.454342 | -.18123503 |
| 6 | 3s | 14.458572 | .01041963 |
| 7 | 4s | 3.411151 | -.00408613 |
| 8 | 4s | 61.814826 | -.00002041 |
| 9 | 5s | 1.801036 | -.00007536 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562561 | < R2 > | .376677 | < 1/R > | 2.592045 | < 1/R**2 > | 27.723491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577884 | 1.01499727 |
| 2 | 2s | 18.820913 | -.02466626 |
| 3 | 3s | 9.621977 | .02347290 |
| 4 | 4s | 48.592643 | -.00008121 |
| 5 | 4s | 27.352845 | .00097347 |
| 6 | 2s | 69.795700 | .00001922 |
| 7 | 5s | 11.889928 | -.00876415 |
| 8 | 3s | 2.583666 | .00063286 |
| 9 | 4s | 2.957809 | -.00051826 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016700 | < 1/R > | 13.581429 | < 1/R**2 > | 372.393740 |
Total Energy= -288.64969803 a.u.
Kinetic Energy= 288.64422595 a.u.
Potential Energy= -577.29392398 a.u.
Virial Ratio = -2.00001896