(1s 2 2s 1 4p 1 ) 1 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 6.872377 | .50774960 |
| 2 | 3p | 4.168816 | -.99638542 |
| 3 | 5p | 3.735981 | 1.53492874 |
| 4 | 4p | 5.492704 | -.39711231 |
| 5 | 5p | 8.366618 | .07551322 |
| 6 | 4p | 16.986949 | -.01167032 |
| 7 | 5p | 39.498213 | -.00153100 |
| 8 | 4p | 66.429512 | -.00043468 |
| 9 | 3p | 1.903596 | .00462601 |
| 10 | 5p | 96.997129 | .00012068 |
| ORB.ENERGY,a.u. | -6.273700 | ||
| NORM | 1.000000 | < R > | 1.605256 | < R2 > | 2.922531 | < 1/R > | .896845 | < 1/R**2 > | 2.202558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.860402 | .43391830 |
| 2 | 2s | 7.416707 | -.81269246 |
| 3 | 3s | 8.935998 | -.30363774 |
| 4 | 5s | 14.869692 | -.02254259 |
| 5 | 4s | 30.451991 | .00471846 |
| 6 | 5s | 40.620107 | -.00100494 |
| 7 | 5s | 4.008465 | -.00049162 |
| 8 | 3s | 63.395517 | .00004561 |
| ORB.ENERGY,a.u. | -28.918000 | ||
| NORM | 1.000000 | < R > | .381647 | < R2 > | .169872 | < 1/R > | 3.872701 | < 1/R**2 > | 60.406709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.390560 | .94000188 |
| 2 | 1s | 25.982682 | .04745334 |
| 3 | 2s | 20.330145 | .01688716 |
| 4 | 3s | 8.955132 | .00056629 |
| 5 | 4s | 65.579195 | -.00048571 |
| 6 | 5s | 86.634960 | .00018444 |
| 7 | 5s | 19.219301 | .00077857 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090355 | < R2 > | .010923 | < 1/R > | 16.671852 | < 1/R**2 > | 558.862190 |
Total Energy= -314.37919204 a.u.
Kinetic Energy= 314.35989237 a.u.
Potential Energy= -628.73908441 a.u.
Virial Ratio = -2.00006139