(1s 2 2s 2 2p 5 3d 1 ) 3 F P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 2.115973 | 1.14537370 |
| 2 | 3d | 5.528148 | .05562535 |
| 3 | 4d | 2.541287 | -.17229265 |
| 4 | 5d | 8.298718 | -.00527977 |
| 5 | 4d | 24.409650 | .00006384 |
| 6 | 3d | 30.613640 | .00001584 |
| 7 | 5d | .972353 | .00013710 |
| ORB.ENERGY,a.u. | -2.113200 | ||
| NORM | 1.000000 | < R > | 1.595079 | < R2 > | 2.953127 | < 1/R > | .749269 | < 1/R**2 > | .699925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.761610 | 1.24354730 |
| 2 | 3p | 5.546781 | -.33314380 |
| 3 | 2p | 11.106787 | .08436403 |
| 4 | 4p | 13.329403 | .01507173 |
| 5 | 5p | 83.058399 | .00001190 |
| 6 | 5p | 3.196494 | .00084327 |
| ORB.ENERGY,a.u. | -8.821800 | ||
| NORM | 1.000000 | < R > | .460554 | < R2 > | .262348 | < 1/R > | 2.812849 | < 1/R**2 > | 11.001273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.129293 | .37233271 |
| 2 | 2s | 6.152413 | -.83428424 |
| 3 | 3s | 5.414582 | -.30317693 |
| 4 | 4s | 18.024421 | .00469382 |
| 5 | 3s | 17.588771 | .00667383 |
| 6 | 5s | 35.856027 | .00047022 |
| 7 | 5s | 4.827818 | -.00413149 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502108 | < R2 > | .298215 | < 1/R > | 2.908042 | < 1/R**2 > | 34.723177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204919 | .92330282 |
| 2 | 1s | 20.990294 | .07298786 |
| 3 | 2s | 8.550034 | .02098928 |
| 4 | 3s | 10.663564 | -.02129140 |
| 5 | 4s | 13.410812 | .01066618 |
| 6 | 5s | 35.876095 | .00080462 |
| 7 | 4s | 80.972169 | -.00003752 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103668 | < R2 > | .014441 | < 1/R > | 14.585570 | < 1/R**2 > | 429.153205 |
Total Energy= -328.41678538 a.u.
Kinetic Energy= 328.42969494 a.u.
Potential Energy= -656.84648032 a.u.
Virial Ratio = -1.99996069