(1s 2 2s 2 2p 5 4p 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 2.952114 | .05708193 |
| 2 | 3p | .541830 | -.64377973 |
| 3 | 4p | .328170 | 1.19952120 |
| 4 | 5p | 1.466227 | -.03969541 |
| 5 | 2p | 7.313440 | .00489412 |
| 6 | 5p | 5.699231 | -.00594043 |
| 7 | 3p | 15.415525 | -.00004674 |
| ORB.ENERGY,a.u. | -.048905 | ||
| NORM | .999999 | < R > | 14.433696 | < R2 > | 237.328825 | < 1/R > | .093050 | < 1/R**2 > | .022865 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.620869 | .12742660 |
| 2 | 2p | 2.561162 | .60671739 |
| 3 | 2p | 4.523614 | .30071864 |
| 4 | 2p | 10.094778 | .01893077 |
| 5 | 4p | 2.288640 | .02278878 |
| 6 | 4p | 10.400050 | .01193825 |
| 7 | 3p | 1.122910 | -.02058280 |
| 8 | 3p | 14.401547 | .00178017 |
| 9 | 5p | 1.312965 | .00855952 |
| ORB.ENERGY,a.u. | -1.314100 | ||
| NORM | 1.000000 | < R > | .875995 | < R2 > | .982320 | < 1/R > | 1.536743 | < 1/R**2 > | 3.419631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.347789 | .30515273 |
| 2 | 2s | 3.737520 | -.78491788 |
| 3 | 3s | 2.876267 | -.34541309 |
| 4 | 4s | 13.295758 | .01362480 |
| 5 | 3s | 20.230806 | .00166514 |
| 6 | 5s | 1.964709 | -.02769342 |
| 7 | 5s | 24.959106 | .00093598 |
| 8 | 4s | 1.673590 | .02966009 |
| 9 | 3s | .991141 | -.00145975 |
| 10 | 2s | 75.779970 | .00000322 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860398 | < R2 > | .890570 | < 1/R > | 1.685410 | < 1/R**2 > | 11.733745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241451 | .92193361 |
| 2 | 1s | 14.465666 | .08148766 |
| 3 | 2s | 5.552966 | .00857276 |
| 4 | 3s | 13.425170 | -.00703108 |
| 5 | 4s | 19.918964 | .00340897 |
| 6 | 5s | 31.519874 | -.00006478 |
| 7 | 5s | 3.660759 | .00023338 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620027 | < 1/R**2 > | 187.253092 |
Total Energy= -127.86721747 a.u.
Kinetic Energy= 127.86672062 a.u.
Potential Energy= -255.73393809 a.u.
Virial Ratio = -2.00000389