(1s 2 2s 2 2p 5 3d 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | .346095 | .95257212 |
| 2 | 5d | 1.430175 | .00454346 |
| 3 | 3d | 3.290238 | .00222065 |
| 4 | 4d | 2.255170 | .00460136 |
| 5 | 5d | .367712 | .05351163 |
| 6 | 5d | 19.325691 | .00000462 |
| ORB.ENERGY,a.u. | -.056238 | ||
| NORM | 1.000000 | < R > | 10.313167 | < R2 > | 121.896013 | < 1/R > | .113723 | < 1/R**2 > | .015711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.715200 | .13477448 |
| 2 | 2p | 2.558739 | .59181070 |
| 3 | 2p | 4.488865 | .30350240 |
| 4 | 2p | 10.278536 | .01872004 |
| 5 | 4p | 2.275126 | .03303839 |
| 6 | 4p | 10.370864 | .01364943 |
| 7 | 3p | 1.703471 | -.01946946 |
| 8 | 3p | 13.883910 | .00257279 |
| ORB.ENERGY,a.u. | -1.270300 | ||
| NORM | 1.000000 | < R > | .875985 | < R2 > | .982349 | < 1/R > | 1.536799 | < 1/R**2 > | 3.419894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.395488 | .30259312 |
| 2 | 2s | 3.734776 | -.78461349 |
| 3 | 3s | 2.885893 | -.34197366 |
| 4 | 4s | 13.297823 | .01523213 |
| 5 | 3s | 23.235430 | .00194791 |
| 6 | 5s | 1.850310 | -.01711708 |
| 7 | 5s | 24.611277 | .00174214 |
| 8 | 4s | 1.495119 | .02155980 |
| 9 | 3s | 1.110068 | -.00625628 |
| 10 | 2s | 51.166274 | .00003858 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860281 | < R2 > | .890296 | < 1/R > | 1.685621 | < 1/R**2 > | 11.736478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241887 | .92190523 |
| 2 | 1s | 14.464357 | .08148132 |
| 3 | 2s | 5.558471 | .00859125 |
| 4 | 3s | 13.433076 | -.00702906 |
| 5 | 4s | 19.916593 | .00343263 |
| 6 | 5s | 31.046441 | -.00006970 |
| 7 | 5s | 3.666980 | .00023557 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033435 | < 1/R > | 9.620058 | < 1/R**2 > | 187.254019 |
Total Energy= -127.87434964 a.u.
Kinetic Energy= 127.87405422 a.u.
Potential Energy= -255.74840386 a.u.
Virial Ratio = -2.00000231