(1s 2 2s 2 2p 1 4p 1 ) 1 S O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 1.544419 | .23857919 |
| 2 | 3p | .955867 | -1.66647279 |
| 3 | 4p | .817766 | 2.00295850 |
| 4 | 5p | 1.837647 | -.03337166 |
| 5 | 2p | 5.114787 | .01693250 |
| 6 | 5p | 9.081789 | .00162225 |
| ORB.ENERGY,a.u. | -.329010 | ||
| NORM | .999999 | < R > | 6.525440 | < R2 > | 47.901668 | < 1/R > | .192916 | < 1/R**2 > | .065185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.585132 | .89288501 |
| 2 | 2p | 4.646873 | .16929926 |
| 3 | 3p | .868689 | -.13834208 |
| 4 | 5p | 1.069859 | .07024986 |
| 5 | 3p | 6.941270 | -.02313471 |
| 6 | 4p | 14.459080 | -.00114582 |
| 7 | 4p | .757281 | .10437423 |
| 8 | 5p | .554260 | -.00213173 |
| 9 | 5p | 44.220208 | -.00002166 |
| ORB.ENERGY,a.u. | -2.605700 | ||
| NORM | 1.000000 | < R > | .913546 | < R2 > | 1.204373 | < 1/R > | 1.432535 | < 1/R**2 > | 2.820571 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.286638 | .28777975 |
| 2 | 2s | 2.420604 | -.76470918 |
| 3 | 3s | 4.061925 | -.28667965 |
| 4 | 4s | 15.252979 | .00177801 |
| 5 | 5s | 8.256601 | -.02054392 |
| 6 | 5s | 2.824800 | .02958029 |
| 7 | 3s | .591482 | .00021840 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984408 | < R2 > | 1.141892 | < 1/R > | 1.459259 | < 1/R**2 > | 8.622886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354667 | .73304325 |
| 2 | 1s | 10.722600 | .19849572 |
| 3 | 1s | 3.652273 | .00412036 |
| 4 | 2s | 7.715645 | .09853366 |
| 5 | 3s | 8.696057 | -.02315153 |
| 6 | 4s | 14.572836 | .00532535 |
| 7 | 5s | 28.718288 | .00013987 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197816 | < R2 > | .052620 | < 1/R > | 7.659785 | < 1/R**2 > | 118.791885 |
Total Energy= -71.43536496 a.u.
Kinetic Energy= 71.42369378 a.u.
Potential Energy= -142.85905874 a.u.
Virial Ratio = -2.00016341