(1s 2 2s 2 2p 5 5p 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 2.078611 | .02361057 |
| 2 | 3p | .637531 | -.36820296 |
| 3 | 4p | .306764 | 1.63893539 |
| 4 | 5p | .244308 | -1.82362022 |
| 5 | 2p | 4.737870 | .01846925 |
| 6 | 5p | 5.357090 | .00280970 |
| 7 | 5p | .614845 | -.16273543 |
| 8 | 3p | 8.965245 | -.00086785 |
| ORB.ENERGY,a.u. | -.028315 | ||
| NORM | 1.000011 | < R > | 25.563870 | < R2 > | 737.526949 | < 1/R > | .054506 | < 1/R**2 > | .010170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.683307 | .12693263 |
| 2 | 2p | 2.549686 | .60149945 |
| 3 | 2p | 4.523264 | .30476662 |
| 4 | 2p | 10.043605 | .01889396 |
| 5 | 4p | 2.182955 | .02101119 |
| 6 | 4p | 10.488463 | .01111749 |
| 7 | 3p | .940121 | -.01851758 |
| 8 | 3p | 14.915131 | .00143979 |
| 9 | 5p | 1.183465 | .01140536 |
| ORB.ENERGY,a.u. | -1.367300 | ||
| NORM | 1.000000 | < R > | .875936 | < R2 > | .982168 | < 1/R > | 1.536820 | < 1/R**2 > | 3.419924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.399944 | .30233375 |
| 2 | 2s | 3.733877 | -.78473901 |
| 3 | 3s | 2.885329 | -.34173869 |
| 4 | 4s | 13.302655 | .01536197 |
| 5 | 3s | 23.384768 | .00198231 |
| 6 | 5s | 1.850742 | -.01677008 |
| 7 | 5s | 24.636610 | .00179295 |
| 8 | 4s | 1.495450 | .02089842 |
| 9 | 3s | 1.109523 | -.00594487 |
| 10 | 2s | 50.820269 | .00004194 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860333 | < R2 > | .890413 | < 1/R > | 1.685521 | < 1/R**2 > | 11.735150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.242263 | .92185371 |
| 2 | 1s | 14.461932 | .08149796 |
| 3 | 2s | 5.569046 | .00863144 |
| 4 | 3s | 13.450575 | -.00710275 |
| 5 | 4s | 19.901090 | .00352775 |
| 6 | 5s | 29.527589 | -.00008927 |
| 7 | 5s | 3.690368 | .00023900 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620041 | < 1/R**2 > | 187.253504 |
Total Energy= -127.84633779 a.u.
Kinetic Energy= 127.84613607 a.u.
Potential Energy= -255.69247386 a.u.
Virial Ratio = -2.00000158