(1s 2 2s 2 2p 4 5p 1 ) 2 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 3.714021 | .19272690 |
| 2 | 3p | 1.651435 | -2.06277899 |
| 3 | 4p | 1.487172 | 4.25945981 |
| 4 | 5p | 1.276510 | -2.90583576 |
| 5 | 2p | 7.913758 | .04776132 |
| 6 | 5p | 23.560722 | -.00058184 |
| 7 | 4p | 34.400087 | -.00017789 |
| 8 | 2p | 1.345580 | -.04932954 |
| 9 | 4p | .578305 | .00112246 |
| ORB.ENERGY,a.u. | -.827410 | ||
| NORM | 1.000001 | < R > | 5.292880 | < R2 > | 31.493753 | < 1/R > | .269772 | < 1/R**2 > | .266191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.651364 | 1.19435765 |
| 2 | 3p | 5.427901 | -.26723925 |
| 3 | 2p | 10.727469 | .06938012 |
| 4 | 4p | 12.550563 | .01364958 |
| 5 | 5p | 1.761549 | .00857428 |
| 6 | 5p | 32.206116 | -.00015190 |
| 7 | 4p | 1.364791 | -.00857392 |
| ORB.ENERGY,a.u. | -8.713200 | ||
| NORM | 1.000000 | < R > | .484166 | < R2 > | .288366 | < 1/R > | 2.660498 | < 1/R**2 > | 9.787685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.310322 | .37517187 |
| 2 | 2s | 5.730009 | -.84740513 |
| 3 | 3s | 5.080508 | -.30055729 |
| 4 | 4s | 16.638693 | .00781268 |
| 5 | 3s | 17.766710 | .00588914 |
| 6 | 5s | 33.137751 | .00054127 |
| 7 | 5s | 6.100006 | .00937857 |
| 8 | 4s | 2.228234 | .00006992 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533166 | < R2 > | .335440 | < 1/R > | 2.734990 | < 1/R**2 > | 30.623904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204509 | .91772322 |
| 2 | 1s | 19.462674 | .07932115 |
| 3 | 2s | 8.032981 | .01970756 |
| 4 | 3s | 9.919089 | -.01994550 |
| 5 | 4s | 12.301738 | .00938353 |
| 6 | 5s | 33.552134 | .00092619 |
| 7 | 4s | 80.714031 | -.00003727 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111170 | < R2 > | .016603 | < 1/R > | 13.600747 | < 1/R**2 > | 373.207116 |
Total Energy= -272.44533629 a.u.
Kinetic Energy= 272.44334769 a.u.
Potential Energy= -544.88868398 a.u.
Virial Ratio = -2.00000730