(1s 2 2s 2 2p 5 4d 1 ) 3 F Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 2.388025 | 1.17737171 |
| 2 | 4d | 2.036654 | -1.73195380 |
| 3 | 3d | 7.169992 | .04187656 |
| 4 | 4d | 5.129082 | .04934490 |
| 5 | 5d | 28.214654 | -.00000501 |
| 6 | 4d | 47.044518 | .00000943 |
| ORB.ENERGY,a.u. | -2.095400 | ||
| NORM | 1.000000 | < R > | 2.476697 | < R2 > | 7.049822 | < 1/R > | .543879 | < 1/R**2 > | .504431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.871878 | 1.18804867 |
| 2 | 3p | 6.926679 | -.25571244 |
| 3 | 2p | 13.087622 | .06601559 |
| 4 | 4p | 15.803393 | .01063676 |
| 5 | 5p | 2.779173 | -.00029644 |
| 6 | 4p | 3.732970 | .00064757 |
| 7 | 4p | 70.806031 | .00001865 |
| ORB.ENERGY,a.u. | -14.107000 | ||
| NORM | 1.000000 | < R > | .387352 | < R2 > | .184424 | < 1/R > | 3.321801 | < 1/R**2 > | 15.230370 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.618348 | .39115939 |
| 2 | 2s | 7.166792 | -.84235872 |
| 3 | 3s | 6.473272 | -.30519204 |
| 4 | 4s | 18.896590 | .00506633 |
| 5 | 3s | 20.765891 | .00671855 |
| 6 | 5s | 36.425606 | .00043107 |
| 7 | 5s | 5.357658 | -.00336970 |
| 8 | 4s | 3.665898 | .00181528 |
| 9 | 3s | 2.610758 | -.00055894 |
| 10 | 2s | 70.864162 | .00001661 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429665 | < R2 > | .217679 | < 1/R > | 3.406833 | < 1/R**2 > | 47.547267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695875 |
| 2 | 1s | 23.720387 | .06885208 |
| 3 | 2s | 10.145763 | .02129713 |
| 4 | 3s | 12.570675 | -.02159138 |
| 5 | 4s | 15.577808 | .01061031 |
| 6 | 5s | 40.775686 | .00070538 |
| 7 | 4s | 92.263572 | -.00003413 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091150 | < R2 > | .011156 | < 1/R > | 16.576495 | < 1/R**2 > | 553.852294 |
Total Energy= -434.09329312 a.u.
Kinetic Energy= 434.10115737 a.u.
Potential Energy= -868.19445049 a.u.
Virial Ratio = -1.99998188