(1s 2 2s 2 2p 1 5p 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 2.460666 | .19593458 |
| 2 | 3p | 1.065941 | -2.25033157 |
| 3 | 4p | .916649 | 5.33544617 |
| 4 | 5p | .868123 | -4.12970503 |
| 5 | 2p | 4.812605 | .05012264 |
| 6 | 5p | 1.431755 | .25286078 |
| 7 | 3p | 8.693741 | -.00313634 |
| 8 | 3p | .449341 | -.00710173 |
| ORB.ENERGY,a.u. | -.366310 | ||
| NORM | 1.000000 | < R > | 7.977814 | < R2 > | 71.510729 | < 1/R > | .178791 | < 1/R**2 > | .114781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.092850 | .87317020 |
| 2 | 2p | 4.993179 | .13730835 |
| 3 | 2p | 10.457439 | .00784667 |
| 4 | 3p | 4.340084 | -.00583520 |
| 5 | 4p | 2.910771 | .01198780 |
| 6 | 4p | 15.652176 | -.00068550 |
| ORB.ENERGY,a.u. | -4.019700 | ||
| NORM | 1.000000 | < R > | .765564 | < R2 > | .715182 | < 1/R > | 1.668286 | < 1/R**2 > | 3.818375 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.078814 | .30810099 |
| 2 | 2s | 2.897574 | -.78783654 |
| 3 | 3s | 4.670151 | -.27151244 |
| 4 | 4s | 16.166828 | .00257791 |
| 5 | 5s | 9.240068 | -.01641190 |
| 6 | 5s | 3.299838 | .02516751 |
| 7 | 4s | 32.135648 | .00005955 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843743 | < R2 > | .836913 | < 1/R > | 1.710705 | < 1/R**2 > | 11.857890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.431322 | .00128236 |
| 2 | 1s | 8.053030 | .85105533 |
| 3 | 1s | 12.613611 | .14430786 |
| 4 | 2s | 11.023847 | .02092653 |
| 5 | 3s | 9.824625 | -.01580650 |
| 6 | 4s | 15.762176 | .00481945 |
| 7 | 5s | 28.876025 | .00027568 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174839 | < R2 > | .041070 | < 1/R > | 8.657188 | < 1/R**2 > | 151.542721 |
Total Energy= -92.48679863 a.u.
Kinetic Energy= 92.49303332 a.u.
Potential Energy= -184.97983196 a.u.
Virial Ratio = -1.99993259