(1s 2 2s 2 2p 6 3s 2 3p 3 ) 2 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 5.465409 | .43266128 |
| 2 | 2p | 1.547668 | -.96443751 |
| 3 | 3p | 2.927306 | -.13500961 |
| 4 | 2p | 13.232957 | .02154244 |
| 5 | 4p | 9.237987 | -.04171800 |
| 6 | 5p | 37.640783 | -.00010954 |
| 7 | 3p | 26.299212 | -.00020095 |
| ORB.ENERGY,a.u. | -1.445900 | ||
| NORM | 1.000000 | < R > | 1.667517 | < R2 > | 3.271055 | < 1/R > | .811892 | < 1/R**2 > | 1.485510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.257203 | -.43278056 |
| 2 | 1s | 12.762947 | .16889563 |
| 3 | 2s | 6.226040 | -.19824594 |
| 4 | 3s | 2.625944 | 1.03965211 |
| 5 | 4s | 4.632913 | .20520812 |
| 6 | 3s | 18.463597 | .00361170 |
| 7 | 5s | 2.373711 | .09934542 |
| 8 | 4s | 56.701999 | -.00005275 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.453354 | < R2 > | 2.422407 | < 1/R > | .935510 | < 1/R**2 > | 5.099798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 7.909968 | .49445565 |
| 2 | 4p | 6.516568 | .18920038 |
| 3 | 5p | 5.160820 | .01808376 |
| 4 | 5p | 28.640352 | -.00023883 |
| 5 | 3p | 1.926338 | .00407896 |
| 6 | 2p | 23.226543 | .00156843 |
| 7 | 4p | 32.404291 | -.00030518 |
| 8 | 2p | 9.981886 | .41074093 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .405924 | < R2 > | .204723 | < 1/R > | 3.201363 | < 1/R**2 > | 14.279107 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.755621 | .37553030 |
| 2 | 2s | 6.936557 | -.76807774 |
| 3 | 3s | 6.430781 | -.16198660 |
| 4 | 4s | 27.471290 | .00194430 |
| 5 | 2s | 4.863485 | -.19830663 |
| 6 | 3s | 17.574984 | .00634309 |
| 7 | 4s | 2.831901 | -.00089975 |
| 8 | 5s | 55.245896 | .00003457 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440983 | < R2 > | .230319 | < 1/R > | 3.319540 | < 1/R**2 > | 45.335519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578037 | 1.01108673 |
| 2 | 2s | 20.699363 | -.01845279 |
| 3 | 3s | 15.056987 | .01707629 |
| 4 | 4s | 61.731746 | -.00038616 |
| 5 | 4s | 8.169070 | .00129427 |
| 6 | 5s | 79.369755 | .00011034 |
| 7 | 5s | 8.325792 | -.00056726 |
| 8 | 2s | 28.440357 | -.00340050 |
| 9 | 2s | 161.947971 | .00000237 |
| 10 | 3s | 2.226861 | -.00001581 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091287 | < R2 > | .011197 | < 1/R > | 16.560699 | < 1/R**2 > | 553.031139 |
Total Energy= -458.21214340 a.u.
Kinetic Energy= 457.76480481 a.u.
Potential Energy= -915.97694821 a.u.
Virial Ratio = -2.00097722