(1s 2 2s 1 4p 1 ) 1 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 1.726886 | .47941304 |
| 2 | 3p | .865484 | -1.63583448 |
| 3 | 4p | .760276 | 2.24111803 |
| 4 | 5p | 1.246513 | -.36828573 |
| 5 | 4p | 3.472979 | -.04735920 |
| 6 | 2p | 7.035940 | .00415283 |
| 7 | 5p | .506074 | -.00373623 |
| ORB.ENERGY,a.u. | -.300970 | ||
| NORM | .999998 | < R > | 7.134649 | < R2 > | 57.868593 | < 1/R > | .206928 | < 1/R**2 > | .130955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.141727 | .31872897 |
| 2 | 2s | 2.127426 | -.84695174 |
| 3 | 3s | 2.630296 | -.22029127 |
| 4 | 4s | 6.877757 | .01228939 |
| 5 | 3s | 6.753513 | .02397736 |
| 6 | 5s | 4.205937 | -.01994799 |
| 7 | 4s | .735994 | -.00048388 |
| 8 | 5s | 27.012003 | -.00009198 |
| 9 | 2s | 43.017917 | .00000725 |
| ORB.ENERGY,a.u. | -2.157900 | ||
| NORM | 1.000000 | < R > | 1.286128 | < R2 > | 1.930796 | < 1/R > | 1.111055 | < 1/R**2 > | 4.972110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.276747 | .88362563 |
| 2 | 1s | 8.611264 | .12493474 |
| 3 | 2s | 4.417454 | .02042487 |
| 4 | 3s | 6.648190 | -.02308798 |
| 5 | 4s | 11.076430 | .00570130 |
| 6 | 5s | 6.380635 | -.00648706 |
| 7 | 5s | 44.673941 | -.00001787 |
| 8 | 4s | 2.765921 | .00065966 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267467 | < R2 > | .096341 | < 1/R > | 5.677656 | < 1/R**2 > | 65.471315 |
Total Energy= -35.03250982 a.u.
Kinetic Energy= 35.02702074 a.u.
Potential Energy= -70.05953056 a.u.
Virial Ratio = -2.00015671