(1s 2 2s 2 2p 1 3d 1 ) 1 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 4.073835 | .96613190 |
| 2 | 3d | 9.305407 | .01829495 |
| 3 | 4d | 3.504925 | .03187307 |
| 4 | 5d | 17.623348 | .00054629 |
| 5 | 5d | 3.184062 | -.00767331 |
| 6 | 4d | 45.897849 | .00002316 |
| 7 | 4d | 2.268328 | .00147369 |
| ORB.ENERGY,a.u. | -8.055700 | ||
| NORM | 1.000000 | < R > | .859909 | < R2 > | .848369 | < 1/R > | 1.365005 | < 1/R**2 > | 2.257418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.156943 | 1.07493524 |
| 2 | 3p | 8.383223 | -.09014662 |
| 3 | 2p | 17.511544 | .01269257 |
| 4 | 5p | 21.968358 | .00219107 |
| 5 | 5p | 7.381441 | .00513794 |
| 6 | 4p | 5.488246 | -.00118289 |
| ORB.ENERGY,a.u. | -22.548000 | ||
| NORM | 1.000000 | < R > | .341147 | < R2 > | .140709 | < 1/R > | 3.699091 | < 1/R**2 > | 18.474445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.585474 | .38322779 |
| 2 | 2s | 6.551073 | -.81256986 |
| 3 | 3s | 9.452276 | -.28405492 |
| 4 | 4s | 31.748488 | .00115105 |
| 5 | 5s | 18.346886 | -.00925972 |
| 6 | 5s | 7.272410 | .01335867 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397470 | < R2 > | .184900 | < 1/R > | 3.699901 | < 1/R**2 > | 55.354070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.201015 | .93691886 |
| 2 | 1s | 24.958078 | .05987442 |
| 3 | 2s | 15.150272 | .02010839 |
| 4 | 3s | 18.508797 | -.01449873 |
| 5 | 4s | 86.240751 | -.00005254 |
| 6 | 5s | 39.058534 | .00076455 |
| 7 | 4s | 9.085459 | .00008812 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090552 | < R2 > | .010979 | < 1/R > | 16.646495 | < 1/R**2 > | 557.488674 |
Total Energy= -367.66849437 a.u.
Kinetic Energy= 367.47695099 a.u.
Potential Energy= -735.14544536 a.u.
Virial Ratio = -2.00052124