(1s 2 2s 2 2p 4 5p 1 ) 2 S F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 1.970354 | .02814971 |
| 2 | 3p | .499946 | -.61734729 |
| 3 | 4p | .294986 | 1.80075887 |
| 4 | 5p | .240554 | -1.94328391 |
| 5 | 2p | 4.473011 | .01567589 |
| 6 | 5p | 5.486674 | .00213422 |
| 7 | 5p | .753544 | .06863897 |
| 8 | 3p | 9.048092 | -.00055155 |
| ORB.ENERGY,a.u. | -.027602 | ||
| NORM | 1.000000 | < R > | 26.242634 | < R2 > | 776.778690 | < 1/R > | .052762 | < 1/R**2 > | .008995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.786648 | .66634267 |
| 2 | 2p | 6.006965 | .12296353 |
| 3 | 3p | 2.130022 | .25434477 |
| 4 | 4p | 6.311196 | .04848386 |
| 5 | 5p | 11.538364 | .00297314 |
| 6 | 5p | .871612 | -.01075358 |
| 7 | 4p | .740803 | .01169286 |
| ORB.ENERGY,a.u. | -1.146800 | ||
| NORM | 1.000000 | < R > | .969831 | < R2 > | 1.195117 | < 1/R > | 1.377842 | < 1/R**2 > | 2.732170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.474129 | .30348512 |
| 2 | 2s | 3.284792 | -.83740708 |
| 3 | 3s | 2.607651 | -.31935299 |
| 4 | 4s | 4.853508 | .03023512 |
| 5 | 3s | 8.644805 | .02632664 |
| 6 | 5s | 18.320256 | .00087232 |
| 7 | 5s | 2.291608 | -.00538574 |
| 8 | 3s | 30.249092 | -.00007330 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961005 | < R2 > | 1.108829 | < 1/R > | 1.503226 | < 1/R**2 > | 9.294849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234397 | .87145278 |
| 2 | 1s | 12.237923 | .12090622 |
| 3 | 1s | 8.875977 | .00344484 |
| 4 | 2s | 5.992142 | .01819763 |
| 5 | 3s | 8.204682 | -.00756330 |
| 6 | 4s | 17.093530 | .00293269 |
| 7 | 5s | 52.260557 | -.00004134 |
| 8 | 5s | 4.110651 | .00043098 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632427 | < 1/R**2 > | 150.886664 |
Total Energy= -98.85975935 a.u.
Kinetic Energy= 98.85931364 a.u.
Potential Energy= -197.71907298 a.u.
Virial Ratio = -2.00000451