(1s 2 2s 2 2p 4 4s 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 9.623352 | .03732897 |
| 2 | 2s | 1.063759 | -.73385835 |
| 3 | 3s | 1.218790 | 1.67619474 |
| 4 | 4s | .699926 | -1.24285046 |
| 5 | 5s | 1.773112 | -.26145084 |
| 6 | 4s | 6.404995 | -.14207066 |
| 7 | 5s | 7.535036 | .06756115 |
| 8 | 4s | 14.557875 | -.00495657 |
| 9 | 5s | 32.187386 | -.00047220 |
| 10 | 4s | 46.373929 | -.00012334 |
| ORB.ENERGY,a.u. | -.218120 | ||
| NORM | .999999 | < R > | 6.933608 | < R2 > | 54.202306 | < 1/R > | .197005 | < 1/R**2 > | .294187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.644382 | .66940773 |
| 2 | 2p | 4.483953 | .37427715 |
| 3 | 2p | 11.058350 | .01104883 |
| 4 | 3p | 1.835446 | .03799743 |
| 5 | 4p | 6.571515 | -.02980484 |
| 6 | 4p | 1.766287 | -.01121162 |
| 7 | 5p | 22.858720 | -.00016721 |
| ORB.ENERGY,a.u. | -2.059500 | ||
| NORM | 1.000000 | < R > | .805674 | < R2 > | .815189 | < 1/R > | 1.637144 | < 1/R**2 > | 3.804786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.517665 | .30663841 |
| 2 | 2s | 3.749082 | -.81700410 |
| 3 | 3s | 3.055401 | -.30283727 |
| 4 | 4s | 12.462986 | .01838504 |
| 5 | 3s | 15.518862 | .01072687 |
| 6 | 5s | 1.284183 | .00258285 |
| 7 | 4s | 1.267428 | -.00715852 |
| 8 | 2s | 24.257900 | .00092235 |
| 9 | 3s | .593483 | .00634237 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .829246 | < R2 > | .821806 | < 1/R > | 1.745379 | < 1/R**2 > | 12.522715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.245173 | .89419950 |
| 2 | 1s | 13.938743 | .09891324 |
| 3 | 1s | 9.768875 | .00363180 |
| 4 | 2s | 7.274572 | .01499879 |
| 5 | 3s | 11.608005 | -.00688548 |
| 6 | 4s | 18.816804 | .00337929 |
| 7 | 5s | 68.737752 | -.00001486 |
| 8 | 5s | 6.857238 | .00086269 |
| 9 | 4s | 3.105501 | .00022905 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157452 | < R2 > | .033370 | < 1/R > | 9.624224 | < 1/R**2 > | 187.374743 |
Total Energy= -126.58792535 a.u.
Kinetic Energy= 126.59010014 a.u.
Potential Energy= -253.17802549 a.u.
Virial Ratio = -1.99998282