(1s 2 2s 2 2p 1 3p 1 ) 3 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 5.619473 | .73481993 |
| 2 | 3p | 4.175368 | -1.39638416 |
| 3 | 2p | 11.515580 | .06194771 |
| 4 | 4p | 14.401322 | .01190680 |
| 5 | 5p | 3.539113 | .00802090 |
| 6 | 4p | 2.834275 | -.00376764 |
| 7 | 5p | 44.393701 | -.00009219 |
| ORB.ENERGY,a.u. | -8.870700 | ||
| NORM | 1.000000 | < R > | .943652 | < R2 > | 1.020438 | < 1/R > | 1.449795 | < 1/R**2 > | 4.320025 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.164281 | 1.07635440 |
| 2 | 3p | 8.470454 | -.09157485 |
| 3 | 2p | 17.713738 | .01180297 |
| 4 | 5p | 21.835190 | .00217425 |
| 5 | 5p | 7.416058 | .00552982 |
| ORB.ENERGY,a.u. | -22.944000 | ||
| NORM | 1.000000 | < R > | .341535 | < R2 > | .141092 | < 1/R > | 3.696257 | < 1/R**2 > | 18.451701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.572651 | .38356720 |
| 2 | 2s | 6.559456 | -.81362239 |
| 3 | 3s | 9.414770 | -.28469554 |
| 4 | 4s | 31.476842 | .00127770 |
| 5 | 5s | 18.174611 | -.00852209 |
| 6 | 5s | 7.489462 | .01408715 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397606 | < R2 > | .185010 | < 1/R > | 3.698312 | < 1/R**2 > | 55.313279 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.189528 | .93737910 |
| 2 | 1s | 25.038194 | .05972442 |
| 3 | 2s | 15.178137 | .02014746 |
| 4 | 3s | 18.701482 | -.01480487 |
| 5 | 4s | 86.952146 | -.00005253 |
| 6 | 5s | 38.731465 | .00078646 |
| 7 | 5s | 4.864687 | -.00002184 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090588 | < R2 > | .010988 | < 1/R > | 16.641839 | < 1/R**2 > | 557.239337 |
Total Energy= -368.19808549 a.u.
Kinetic Energy= 368.28194747 a.u.
Potential Energy= -736.48003296 a.u.
Virial Ratio = -1.99977229