(1s 2 2s 2 2p 1 4d 1 ) 1 F Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.350492 | 1.65538561 |
| 2 | 4d | 1.246188 | -2.13925904 |
| 3 | 3d | 5.036008 | .01149168 |
| 4 | 5d | 2.429518 | -.01141990 |
| 5 | 4d | 10.657018 | -.00031218 |
| ORB.ENERGY,a.u. | -.784070 | ||
| NORM | 1.000001 | < R > | 4.166915 | < R2 > | 19.900187 | < 1/R > | .318319 | < 1/R**2 > | .165795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.548055 | .85803642 |
| 2 | 2p | 5.506160 | .15221080 |
| 3 | 2p | 11.259961 | .00884130 |
| 4 | 3p | .929860 | .00026950 |
| 5 | 4p | 1.587430 | .00164596 |
| 6 | 4p | 18.301768 | -.00067017 |
| ORB.ENERGY,a.u. | -5.429800 | ||
| NORM | 1.000000 | < R > | .660806 | < R2 > | .531566 | < 1/R > | 1.926571 | < 1/R**2 > | 5.070878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.894257 | .32328559 |
| 2 | 2s | 3.357803 | -.79333402 |
| 3 | 3s | 5.261872 | -.27136259 |
| 4 | 4s | 17.981818 | .00244304 |
| 5 | 5s | 10.329199 | -.01478774 |
| 6 | 5s | 3.779108 | .02143150 |
| 7 | 4s | 36.219571 | .00005118 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739471 | < R2 > | .642047 | < 1/R > | 1.959776 | < 1/R**2 > | 15.565584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.585615 | .00040991 |
| 2 | 1s | 9.271180 | .89165684 |
| 3 | 1s | 13.711757 | .10449240 |
| 4 | 2s | 7.501458 | .01482574 |
| 5 | 3s | 10.872320 | -.00733463 |
| 6 | 4s | 18.676778 | .00416526 |
| 7 | 5s | 10.299088 | -.00181721 |
| 8 | 5s | 36.875263 | .00007847 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156629 | < R2 > | .032936 | < 1/R > | 9.655264 | < 1/R**2 > | 188.297834 |
Total Energy= -116.71882786 a.u.
Kinetic Energy= 116.69491643 a.u.
Potential Energy= -233.41374429 a.u.
Virial Ratio = -2.00020491