(1s 2 2s 2 2p 6 ) 1 S P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 4.738076 | 1.22332846 |
| 2 | 3p | 5.765522 | -.30459756 |
| 3 | 2p | 11.154403 | .07811253 |
| 4 | 4p | 13.283843 | .01396719 |
| 5 | 5p | 4.627815 | .01128743 |
| 6 | 4p | 4.260986 | -.00113098 |
| 7 | 4p | 67.648817 | .00001346 |
| ORB.ENERGY,a.u. | -8.055000 | ||
| NORM | 1.000000 | < R > | .478431 | < R2 > | .284702 | < 1/R > | 2.726192 | < 1/R**2 > | 10.412193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.189253 | .36114230 |
| 2 | 2s | 6.069692 | -.82507842 |
| 3 | 3s | 5.135643 | -.31574667 |
| 4 | 4s | 24.267566 | .00196602 |
| 5 | 3s | 15.317185 | .00895876 |
| 6 | 5s | 3.542778 | -.01234990 |
| 7 | 4s | 3.149694 | .01450506 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .513439 | < R2 > | .312692 | < 1/R > | 2.842063 | < 1/R**2 > | 33.270332 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.207505 | .92384425 |
| 2 | 1s | 21.200717 | .07111531 |
| 3 | 2s | 10.317173 | .01948626 |
| 4 | 3s | 12.525014 | -.01704748 |
| 5 | 4s | 14.358891 | .00999278 |
| 6 | 5s | 35.772604 | .00060580 |
| 7 | 4s | 7.476594 | .00060388 |
| 8 | 3s | 49.985044 | -.00013071 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103785 | < R2 > | .014482 | < 1/R > | 14.575411 | < 1/R**2 > | 428.695008 |
Total Energy= -334.36966232 a.u.
Kinetic Energy= 334.36964363 a.u.
Potential Energy= -668.73930594 a.u.
Virial Ratio = -2.00000006