(1s 2 2p 1 ) 2 P O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 3.063656 | .96675511 |
| 2 | 2p | 6.482546 | .02128643 |
| 3 | 2p | 9.894412 | .00665358 |
| 4 | 3p | 5.103590 | .01363390 |
| 5 | 5p | 3.618647 | .00255739 |
| 6 | 5p | 37.615114 | .00004235 |
| ORB.ENERGY,a.u. | -4.626800 | ||
| NORM | 1.000000 | < R > | .803679 | < R2 > | .779385 | < 1/R > | 1.569321 | < 1/R**2 > | 3.333273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.349113 | .73437243 |
| 2 | 1s | 10.710441 | .20006282 |
| 3 | 2s | 7.712791 | .09914910 |
| 4 | 3s | 8.731089 | -.02298693 |
| 5 | 4s | 14.173066 | .00629086 |
| 6 | 5s | 16.570814 | -.00091796 |
| 7 | 5s | 5.360428 | .00037496 |
| ORB.ENERGY,a.u. | -25.486000 |
| NORM | 1.000000 | < R > | .197564 | < R2 > | .052464 | < 1/R > | 7.667475 | < 1/R**2 > | 119.002363 |
Total Energy= -63.73668717 a.u.
Kinetic Energy= 63.73668779 a.u.
Potential Energy= -127.47337496 a.u.
Virial Ratio = -1.99999999