(1s 2 2s 2 2p 1 5p 1 ) 1 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 2.178177 | .20194709 |
| 2 | 3p | 1.149751 | -1.86528826 |
| 3 | 4p | .890051 | 5.35519250 |
| 4 | 5p | .859713 | -3.88391356 |
| 5 | 2p | 6.218333 | .01238595 |
| 6 | 5p | 2.985004 | .02037413 |
| 7 | 5p | .822398 | -.51715893 |
| 8 | 5p | 10.337247 | .00145430 |
| ORB.ENERGY,a.u. | -.358580 | ||
| NORM | 1.000007 | < R > | 8.127657 | < R2 > | 74.227541 | < 1/R > | .164805 | < 1/R**2 > | .065264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.108890 | .81772701 |
| 2 | 2p | 4.622044 | .17662412 |
| 3 | 2p | 10.252483 | .00982481 |
| 4 | 5p | 1.168436 | .21469149 |
| 5 | 4p | .647487 | -.07673489 |
| 6 | 5p | 4.350167 | .02613120 |
| 7 | 3p | .726524 | -.15649370 |
| 8 | 5p | 21.776520 | -.00024191 |
| 9 | 5p | .584519 | .01074095 |
| ORB.ENERGY,a.u. | -4.011900 | ||
| NORM | 1.000000 | < R > | .776508 | < R2 > | .900879 | < 1/R > | 1.679703 | < 1/R**2 > | 3.867141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.062053 | .30906932 |
| 2 | 2s | 2.921203 | -.78504446 |
| 3 | 3s | 4.663125 | -.27154886 |
| 4 | 4s | 15.366402 | .00319372 |
| 5 | 5s | 9.296070 | -.01444861 |
| 6 | 5s | 3.209516 | .02404621 |
| 7 | 4s | 27.744774 | .00014411 |
| 8 | 4s | 2.721611 | -.00602518 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843717 | < R2 > | .836855 | < 1/R > | 1.710756 | < 1/R**2 > | 11.858556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.430928 | .00128791 |
| 2 | 1s | 8.053117 | .85104895 |
| 3 | 1s | 12.613196 | .14431041 |
| 4 | 2s | 11.022982 | .02092233 |
| 5 | 3s | 9.825914 | -.01580530 |
| 6 | 4s | 15.765463 | .00482404 |
| 7 | 5s | 28.901024 | .00027431 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174839 | < R2 > | .041070 | < 1/R > | 8.657186 | < 1/R**2 > | 151.542697 |
Total Energy= -92.48903749 a.u.
Kinetic Energy= 92.48530722 a.u.
Potential Energy= -184.97434471 a.u.
Virial Ratio = -2.00004033