(1s 2 2s 2 2p 4 4s 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 11.891278 | .07613483 |
| 2 | 2s | 2.380044 | -1.32166856 |
| 3 | 3s | 2.503106 | 2.52141993 |
| 4 | 4s | 1.681009 | -1.63972280 |
| 5 | 5s | 3.775867 | -.19755611 |
| 6 | 4s | 11.867704 | -.01714479 |
| 7 | 5s | 25.867819 | -.00090062 |
| 8 | 5s | 1.413549 | .06184450 |
| 9 | 4s | 40.970804 | -.00021082 |
| 10 | 4s | .977587 | -.00937250 |
| ORB.ENERGY,a.u. | -1.483300 | ||
| NORM | 1.000002 | < R > | 3.057005 | < R2 > | 10.491026 | < 1/R > | .453687 | < 1/R**2 > | 1.550018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.648691 | 1.20399565 |
| 2 | 3p | 5.434900 | -.27459215 |
| 3 | 2p | 10.794984 | .06708641 |
| 4 | 4p | 12.698333 | .01299753 |
| 5 | 5p | 2.488615 | .00013155 |
| 6 | 5p | 31.529474 | -.00016480 |
| ORB.ENERGY,a.u. | -8.535400 | ||
| NORM | 1.000000 | < R > | .484685 | < R2 > | .289015 | < 1/R > | 2.658189 | < 1/R**2 > | 9.772805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.349412 | .32938040 |
| 2 | 2s | 4.883728 | -.77222605 |
| 3 | 3s | 7.668025 | -.23715587 |
| 4 | 4s | 5.757462 | -.06815191 |
| 5 | 5s | 16.250480 | -.00998355 |
| 6 | 5s | 1.800753 | -.01182079 |
| 7 | 3s | 3.636506 | .00919770 |
| 8 | 3s | 51.536829 | -.00010076 |
| 9 | 4s | 88.065310 | .00002135 |
| 10 | 4s | 1.508100 | .00556392 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .532309 | < R2 > | .334531 | < 1/R > | 2.739646 | < 1/R**2 > | 30.720605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.203433 | .91835319 |
| 2 | 1s | 19.579200 | .07831793 |
| 3 | 2s | 9.008892 | .01877179 |
| 4 | 3s | 11.365171 | -.01681218 |
| 5 | 4s | 13.432920 | .00764712 |
| 6 | 5s | 34.122099 | .00091217 |
| 7 | 4s | 79.448496 | -.00003230 |
| 8 | 5s | 1.980151 | .00157722 |
| 9 | 4s | 1.826029 | -.00127136 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111174 | < R2 > | .016606 | < 1/R > | 13.600489 | < 1/R**2 > | 373.195791 |
Total Energy= -273.10963591 a.u.
Kinetic Energy= 273.09728141 a.u.
Potential Energy= -546.20691732 a.u.
Virial Ratio = -2.00004524