(1s 2 2s 2 2p 1 5d 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | .515055 | 1.72248016 |
| 2 | 4d | .419503 | -4.92257702 |
| 3 | 5d | .399489 | 4.03022652 |
| 4 | 3d | 2.212896 | .01759100 |
| 5 | 4d | .796121 | -.11451787 |
| 6 | 5d | 3.282764 | -.00111619 |
| 7 | 4d | 15.068265 | .00001575 |
| ORB.ENERGY,a.u. | -.080969 | ||
| NORM | 1.000000 | < R > | 16.959818 | < R2 > | 327.337696 | < 1/R > | .083325 | < 1/R**2 > | .014949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.095572 | .83041110 |
| 2 | 2p | 3.524109 | .16697266 |
| 3 | 2p | 7.711208 | .01038375 |
| 4 | 3p | 2.170502 | .00075894 |
| 5 | 4p | 2.014331 | .02933351 |
| 6 | 4p | 12.388402 | -.00070418 |
| ORB.ENERGY,a.u. | -1.629800 | ||
| NORM | 1.000000 | < R > | 1.121372 | < R2 > | 1.546930 | < 1/R > | 1.150598 | < 1/R**2 > | 1.840359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427969 | .26761642 |
| 2 | 2s | 2.000205 | -.76161925 |
| 3 | 3s | 3.461570 | -.27625009 |
| 4 | 4s | 13.203546 | .00224827 |
| 5 | 5s | 7.042189 | -.02367626 |
| 6 | 5s | 2.268236 | .03180741 |
| 7 | 4s | 29.383175 | .00003167 |
| 8 | 4s | 1.880338 | -.00888530 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179379 | < R2 > | 1.644401 | < 1/R > | 1.210939 | < 1/R**2 > | 5.925532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.270333 | .00613133 |
| 2 | 1s | 6.254620 | .70948667 |
| 3 | 1s | 9.332067 | .22641830 |
| 4 | 2s | 7.139703 | .08427084 |
| 5 | 3s | 7.702674 | -.01452531 |
| 6 | 4s | 12.790150 | .00522506 |
| 7 | 5s | 22.109156 | .00018898 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227666 | < R2 > | .069768 | < 1/R > | 6.663966 | < 1/R**2 > | 90.057488 |
Total Energy= -52.89805285 a.u.
Kinetic Energy= 52.89676175 a.u.
Potential Energy= -105.79481460 a.u.
Virial Ratio = -2.00002441