(1s 2 2s 1 ) 2 S B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 4.331656 | .25479430 |
| 2 | 1s | 8.104947 | .01321813 |
| 3 | 2s | 1.688402 | -1.16478200 |
| 4 | 2s | 3.248997 | .17275496 |
| 5 | 3s | 9.539320 | -.00165482 |
| ORB.ENERGY,a.u. | -1.390100 | ||
| NORM | 1.000000 | < R > | 1.636080 | < R2 > | 3.127028 | < 1/R > | .863323 | < 1/R**2 > | 2.982144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.216817 | .73100890 |
| 2 | 1s | 7.076265 | .21789116 |
| 3 | 2s | 5.759646 | .07716743 |
| 4 | 3s | 5.784568 | -.01440406 |
| 5 | 4s | 8.770710 | .00749520 |
| 6 | 5s | 4.754372 | -.00150964 |
| 7 | 5s | 2.861670 | .00097332 |
| 8 | 5s | 37.965220 | -.00003187 |
| ORB.ENERGY,a.u. | -8.644700 |
| NORM | 1.000000 | < R > | .325210 | < R2 > | .142675 | < 1/R > | 4.680601 | < 1/R**2 > | 44.632367 |
Total Energy= -23.37599085 a.u.
Kinetic Energy= 23.37599091 a.u.
Potential Energy= -46.75198176 a.u.
Virial Ratio = -2.00000000