(1s 2 2s 2 2p 1 3p 1 ) 1 S Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 3.844351 | .85932930 |
| 2 | 3p | 4.177641 | -1.80464177 |
| 3 | 2p | 11.694238 | .01563641 |
| 4 | 4p | 8.545767 | .05553583 |
| 5 | 5p | 26.187482 | .00118998 |
| 6 | 5p | 4.149795 | -.00598136 |
| 7 | 4p | 42.376134 | .00011455 |
| ORB.ENERGY,a.u. | -8.862500 | ||
| NORM | 1.000000 | < R > | .973985 | < R2 > | 1.046648 | < 1/R > | 1.161130 | < 1/R**2 > | 1.739528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.109676 | 1.06211951 |
| 2 | 3p | 3.898385 | -.32406539 |
| 3 | 2p | 12.552440 | .06550579 |
| 4 | 5p | 14.090428 | .01055217 |
| 5 | 4p | 29.225335 | -.00206379 |
| 6 | 5p | 3.567051 | .02423199 |
| 7 | 3p | 37.209276 | -.00033726 |
| 8 | 4p | 2.635786 | -.01413854 |
| 9 | 3p | 1.906087 | .00412534 |
| ORB.ENERGY,a.u. | -22.935000 | ||
| NORM | 1.000000 | < R > | .324716 | < R2 > | .143002 | < 1/R > | 3.963389 | < 1/R**2 > | 20.924088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.567522 | .38406131 |
| 2 | 2s | 6.566486 | -.81380588 |
| 3 | 3s | 9.414136 | -.28491213 |
| 4 | 4s | 31.621949 | .00128557 |
| 5 | 5s | 18.117921 | -.00853822 |
| 6 | 5s | 7.497600 | .01428116 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397334 | < R2 > | .184743 | < 1/R > | 3.701053 | < 1/R**2 > | 55.390188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.187907 | .93734933 |
| 2 | 1s | 25.007992 | .05993913 |
| 3 | 2s | 15.061816 | .02008899 |
| 4 | 3s | 18.539150 | -.01492769 |
| 5 | 4s | 84.192387 | -.00005904 |
| 6 | 5s | 38.764737 | .00071971 |
| 7 | 4s | 3.760629 | -.00001920 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090582 | < R2 > | .010987 | < 1/R > | 16.642487 | < 1/R**2 > | 557.271505 |
Total Energy= -368.27371686 a.u.
Kinetic Energy= 368.11155058 a.u.
Potential Energy= -736.38526744 a.u.
Virial Ratio = -2.00044054