(1s 2 2s 1 3d 1 ) 1 D Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 2.327104 | .99259591 |
| 2 | 3d | 10.053673 | .00166845 |
| 3 | 4d | 7.892416 | .00778501 |
| 4 | 5d | 3.292802 | .00392865 |
| 5 | 5d | 15.862824 | -.00025463 |
| ORB.ENERGY,a.u. | -2.715400 | ||
| NORM | 1.000000 | < R > | 1.499491 | < R2 > | 2.573525 | < 1/R > | .780370 | < 1/R**2 > | .734952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.135708 | .40244569 |
| 2 | 2s | 4.138900 | -.86557760 |
| 3 | 3s | 4.820250 | -.25147912 |
| 4 | 4s | 11.833744 | .02633558 |
| 5 | 3s | 12.964590 | .00816547 |
| 6 | 5s | 8.460130 | -.01512091 |
| 7 | 5s | 14.482880 | -.00748974 |
| 8 | 4s | 3.812549 | -.00795664 |
| 9 | 3s | 2.056225 | .00068437 |
| ORB.ENERGY,a.u. | -7.939400 | ||
| NORM | 1.000000 | < R > | .688943 | < R2 > | .553820 | < 1/R > | 2.121878 | < 1/R**2 > | 18.189357 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.184458 | .87316363 |
| 2 | 1s | 13.447380 | .12647554 |
| 3 | 2s | 6.434146 | .02682722 |
| 4 | 3s | 8.130506 | -.02927737 |
| 5 | 4s | 18.423812 | .00352013 |
| 6 | 5s | 10.838971 | .00356249 |
| 7 | 5s | 64.631107 | -.00002227 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156145 | < R2 > | .032699 | < 1/R > | 9.675926 | < 1/R**2 > | 188.945694 |
Total Energy= -105.57357558 a.u.
Kinetic Energy= 105.34618410 a.u.
Potential Energy= -210.91975968 a.u.
Virial Ratio = -2.00215852