(1s 2 2s 2 2p 2 4d 1 ) 4 F Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | 1.600751 | 1.01891147 |
| 2 | 4d | 1.259176 | -1.55991374 |
| 3 | 3d | 3.581743 | .08154018 |
| 4 | 4d | .811543 | .02207201 |
| 5 | 5d | 5.334709 | -.01408622 |
| 6 | 5d | 45.375983 | .00000115 |
| 7 | 3d | 12.614850 | .00016626 |
| 8 | 4d | .693865 | -.00843082 |
| ORB.ENERGY,a.u. | -.824740 | ||
| NORM | .999999 | < R > | 3.929570 | < R2 > | 17.747648 | < 1/R > | .343175 | < 1/R**2 > | .201650 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.856644 | 1.23212496 |
| 2 | 3p | 4.713932 | -.25598994 |
| 3 | 2p | 10.677377 | .02070553 |
| 4 | 4p | 11.558582 | .00522468 |
| 5 | 5p | 22.635068 | -.00039649 |
| 6 | 5p | 2.146970 | -.00320564 |
| 7 | 4p | 2.240464 | .00456763 |
| ORB.ENERGY,a.u. | -5.971600 | ||
| NORM | 1.000000 | < R > | .614003 | < R2 > | .461080 | < 1/R > | 2.084782 | < 1/R**2 > | 5.972975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.999108 | .36358388 |
| 2 | 2s | 4.428384 | -.82550025 |
| 3 | 3s | 4.494693 | -.26843938 |
| 4 | 4s | 17.548990 | .00281320 |
| 5 | 3s | 10.882102 | .01784588 |
| 6 | 5s | 4.490375 | -.04305527 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680206 | < R2 > | .544655 | < 1/R > | 2.133804 | < 1/R**2 > | 18.533216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126744 | .89440467 |
| 2 | 1s | 15.409876 | .10595311 |
| 3 | 2s | 9.689984 | .01797886 |
| 4 | 3s | 11.815303 | -.01486733 |
| 5 | 5s | 26.558023 | .00136046 |
| 6 | 4s | 68.286495 | -.00003305 |
| 7 | 5s | 8.569659 | .00097747 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142179 | < R2 > | .027152 | < 1/R > | 10.638056 | < 1/R**2 > | 228.534795 |
Total Energy= -149.58256397 a.u.
Kinetic Energy= 149.59534156 a.u.
Potential Energy= -299.17790553 a.u.
Virial Ratio = -1.99991459