(1s 2 2s 2 2p 1 4d 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.083991 | 1.59643048 |
| 2 | 4d | .992478 | -2.09328812 |
| 3 | 3d | 3.471450 | .02277786 |
| 4 | 5d | 4.731009 | -.00620210 |
| 5 | 4d | 20.404936 | .00003471 |
| 6 | 5d | .774872 | .00225181 |
| ORB.ENERGY,a.u. | -.500680 | ||
| NORM | .999998 | < R > | 5.215309 | < R2 > | 31.188505 | < 1/R > | .254935 | < 1/R**2 > | .107017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.095594 | .87820564 |
| 2 | 2p | 4.999565 | .13597480 |
| 3 | 2p | 10.544347 | .00763266 |
| 4 | 3p | 4.384094 | -.00755610 |
| 5 | 4p | 2.759973 | .00955578 |
| 6 | 4p | 15.440233 | -.00066016 |
| 7 | 5p | .969504 | .00017449 |
| ORB.ENERGY,a.u. | -3.890100 | ||
| NORM | 1.000000 | < R > | .764385 | < R2 > | .712889 | < 1/R > | 1.670478 | < 1/R**2 > | 3.827293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.048056 | .30973987 |
| 2 | 2s | 2.934649 | -.78686831 |
| 3 | 3s | 4.687539 | -.27298939 |
| 4 | 4s | 12.472155 | .00534768 |
| 5 | 5s | 9.890734 | -.01116673 |
| 6 | 5s | 2.979162 | .01848027 |
| 7 | 4s | 20.485857 | .00100527 |
| 8 | 4s | 2.122471 | -.00713114 |
| 9 | 5s | 61.532309 | .00001683 |
| 10 | 2s | 1.139935 | .00213586 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844218 | < R2 > | .838056 | < 1/R > | 1.709949 | < 1/R**2 > | 11.848657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.482290 | .00146920 |
| 2 | 1s | 8.045904 | .85108893 |
| 3 | 1s | 12.590503 | .14525982 |
| 4 | 2s | 10.866961 | .02075881 |
| 5 | 3s | 9.632581 | -.01586483 |
| 6 | 4s | 16.469771 | .00376906 |
| 7 | 5s | 58.741338 | -.00002931 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174828 | < R2 > | .041064 | < 1/R > | 8.657562 | < 1/R**2 > | 151.553095 |
Total Energy= -92.64437454 a.u.
Kinetic Energy= 92.62744518 a.u.
Potential Energy= -185.27181972 a.u.
Virial Ratio = -2.00018277