(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 4d | .146049 | -.21447307 |
| 2 | 3d | .210140 | 2.89983480 |
| 3 | 4d | .188051 | -9.31089910 |
| 4 | 5d | .192861 | 7.47254532 |
| 5 | 3d | .713168 | .15549140 |
| 6 | 4d | .838247 | -.34491436 |
| 7 | 5d | 1.000750 | .16335205 |
| 8 | 3d | 4.027797 | .00091727 |
| 9 | 4d | 12.741427 | .00003467 |
| ORB.ENERGY,a.u. | -.019461 | ||
| NORM | 1.000015 | < R > | 35.455272 | < R2 > | 1426.513430 | < 1/R > | .039065 | < 1/R**2 > | .003120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.475774 | .24807791 |
| 2 | 2p | 1.041472 | -.83387785 |
| 3 | 3p | 1.585428 | -.24680542 |
| 4 | 2p | 7.042046 | .10072936 |
| 5 | 3p | 9.731541 | -.00972254 |
| 6 | 4p | 1.000561 | .00817254 |
| 7 | 4p | 25.051703 | -.00034381 |
| 8 | 5p | 74.931314 | -.00000969 |
| 9 | 5p | 1.079381 | .00490236 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.467666 | < R2 > | 7.082896 | < 1/R > | .530120 | < 1/R**2 > | .618255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.835914 | -.14205761 |
| 2 | 1s | 9.522152 | .18628943 |
| 3 | 1s | 22.410500 | .00187184 |
| 4 | 2s | 4.351664 | -.28711876 |
| 5 | 3s | 1.703188 | .84960469 |
| 6 | 4s | 3.020977 | .16695953 |
| 7 | 5s | 1.552574 | .07157243 |
| 8 | 4s | 43.738642 | -.00007164 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.092582 | < R2 > | 5.044167 | < 1/R > | .634449 | < 1/R**2 > | 2.227615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .847350 | .00011254 |
| 2 | 2p | 7.176956 | .48231711 |
| 3 | 3p | 5.436482 | .49329749 |
| 4 | 4p | 4.265786 | .12706159 |
| 5 | 5p | 2.748446 | .00337589 |
| 6 | 2p | 14.231779 | .00945153 |
| 7 | 5p | 31.545998 | -.00045764 |
| 8 | 4p | 45.421084 | -.00008183 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535259 | < R2 > | .359451 | < 1/R > | 2.456925 | < 1/R**2 > | 8.523627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398886 | .35141637 |
| 2 | 2s | 4.934862 | -.77287194 |
| 3 | 3s | 4.398263 | -.16878944 |
| 4 | 4s | 21.974986 | .00177924 |
| 5 | 2s | 6.453981 | -.18123619 |
| 6 | 3s | 14.463508 | .01041347 |
| 7 | 4s | 3.414774 | -.00406773 |
| 8 | 4s | 61.725814 | -.00002052 |
| 9 | 5s | 1.693069 | -.00007666 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562539 | < R2 > | .376643 | < 1/R > | 2.592139 | < 1/R**2 > | 27.725339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577897 | 1.01499688 |
| 2 | 2s | 18.820702 | -.02466577 |
| 3 | 3s | 9.622350 | .02347156 |
| 4 | 4s | 48.617388 | -.00008123 |
| 5 | 4s | 27.354629 | .00097346 |
| 6 | 2s | 69.806623 | .00001919 |
| 7 | 5s | 11.890577 | -.00876350 |
| 8 | 3s | 2.583841 | .00063319 |
| 9 | 4s | 2.957984 | -.00051823 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581445 | < 1/R**2 > | 372.394434 |
Total Energy= -288.59389206 a.u.
Kinetic Energy= 288.59259571 a.u.
Potential Energy= -577.18648777 a.u.
Virial Ratio = -2.00000449