(1s 2 2s 2 2p 5 3d 1 ) 1 F P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 2.148124 | 1.13083255 |
| 2 | 3d | 6.133816 | .03440262 |
| 3 | 4d | 2.778957 | -.15642922 |
| 4 | 5d | 9.194158 | -.00170830 |
| 5 | 4d | 38.226897 | .00001680 |
| 6 | 5d | 1.980362 | .01534825 |
| ORB.ENERGY,a.u. | -2.091800 | ||
| NORM | 1.000000 | < R > | 1.621907 | < R2 > | 3.045728 | < 1/R > | .734395 | < 1/R**2 > | .669596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.778880 | 1.24048492 |
| 2 | 3p | 5.574728 | -.32810136 |
| 3 | 2p | 11.145225 | .08279598 |
| 4 | 4p | 13.382846 | .01479743 |
| 5 | 5p | 81.579050 | .00001259 |
| 6 | 5p | 3.184052 | .00079500 |
| ORB.ENERGY,a.u. | -8.800400 | ||
| NORM | 1.000000 | < R > | .460197 | < R2 > | .261867 | < 1/R > | 2.814336 | < 1/R**2 > | 11.010699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.132272 | .37221981 |
| 2 | 2s | 6.150872 | -.83391699 |
| 3 | 3s | 5.418455 | -.30315561 |
| 4 | 4s | 18.213795 | .00452911 |
| 5 | 3s | 17.508938 | .00668794 |
| 6 | 5s | 36.245859 | .00044446 |
| 7 | 5s | 4.829849 | -.00417324 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502061 | < R2 > | .298148 | < 1/R > | 2.908250 | < 1/R**2 > | 34.727548 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204919 | .92329973 |
| 2 | 1s | 20.989262 | .07299120 |
| 3 | 2s | 8.546912 | .02099855 |
| 4 | 3s | 10.660215 | -.02129841 |
| 5 | 4s | 13.408457 | .01066970 |
| 6 | 5s | 35.800288 | .00080295 |
| 7 | 4s | 81.173774 | -.00003890 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103669 | < R2 > | .014441 | < 1/R > | 14.585477 | < 1/R**2 > | 429.148880 |
Total Energy= -328.41706131 a.u.
Kinetic Energy= 328.40830184 a.u.
Potential Energy= -656.82536315 a.u.
Virial Ratio = -2.00002667