(1s 2 2s 2 2p 4 3d 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | .330013 | .97316712 |
| 2 | 3d | 3.381805 | .00086806 |
| 3 | 4d | 2.526376 | .00136708 |
| 4 | 4d | .419796 | .02682635 |
| ORB.ENERGY,a.u. | -.055070 | ||
| NORM | 1.000000 | < R > | 10.607188 | < R2 > | 128.494411 | < 1/R > | .109928 | < 1/R**2 > | .014514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.203777 | .67258800 |
| 2 | 2p | 3.922928 | .31978127 |
| 3 | 2p | 9.896211 | .01597706 |
| 4 | 3p | 1.468879 | .06186359 |
| 5 | 4p | 9.365156 | .01492432 |
| 6 | 4p | 1.139037 | -.03343272 |
| 7 | 3p | 12.052389 | .00414032 |
| 8 | 5p | 1.153403 | .02112290 |
| 9 | 3p | .724441 | -.00380785 |
| ORB.ENERGY,a.u. | -1.048500 | ||
| NORM | 1.000000 | < R > | .969802 | < R2 > | 1.195074 | < 1/R > | 1.377894 | < 1/R**2 > | 2.732364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.491930 | .30242166 |
| 2 | 2s | 3.281162 | -.83658829 |
| 3 | 3s | 2.607577 | -.31946455 |
| 4 | 4s | 4.804771 | .03028000 |
| 5 | 3s | 8.729356 | .02666293 |
| 6 | 5s | 19.319639 | .00072417 |
| 7 | 5s | 2.257985 | -.00510112 |
| 8 | 2s | 50.547910 | .00000735 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960948 | < R2 > | 1.108684 | < 1/R > | 1.503311 | < 1/R**2 > | 9.295848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231546 | .87204735 |
| 2 | 1s | 12.230255 | .12115461 |
| 3 | 1s | 9.917089 | .00262671 |
| 4 | 2s | 6.000385 | .01820059 |
| 5 | 3s | 8.196951 | -.00761245 |
| 6 | 4s | 17.132974 | .00293411 |
| 7 | 5s | 51.575362 | -.00004157 |
| 8 | 5s | 4.169115 | .00044318 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632441 | < 1/R**2 > | 150.887031 |
Total Energy= -98.88826756 a.u.
Kinetic Energy= 98.88678668 a.u.
Potential Energy= -197.77505424 a.u.
Virial Ratio = -2.00001498