(1s 2 2s 1 4s 1 ) 3 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 3.716655 | .03596152 |
| 2 | 2s | .379695 | -1.40179432 |
| 3 | 3s | .474653 | 2.12327220 |
| 4 | 4s | .300460 | -1.45834656 |
| 5 | 5s | 1.169648 | .10233220 |
| 6 | 4s | 2.582758 | -.03513962 |
| 7 | 5s | 9.719168 | .00031740 |
| 8 | 5s | .287139 | .15909544 |
| ORB.ENERGY,a.u. | -.047215 | ||
| NORM | .999995 | < R > | 16.032707 | < R2 > | 288.522422 | < 1/R > | .083066 | < 1/R**2 > | .042533 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.638019 | .23002443 |
| 2 | 2s | 1.145450 | -.73954372 |
| 3 | 3s | 1.646004 | -.28819830 |
| 4 | 4s | 4.381081 | .02468262 |
| 5 | 3s | 5.018093 | .01817674 |
| 6 | 5s | 1.496832 | -.02643179 |
| 7 | 5s | 16.071743 | -.00015558 |
| 8 | 3s | 42.665460 | .00000919 |
| ORB.ENERGY,a.u. | -.570530 | ||
| NORM | 1.000000 | < R > | 2.278806 | < R2 > | 6.083710 | < 1/R > | .608055 | < 1/R**2 > | 1.453456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.374769 | .89217285 |
| 2 | 1s | 5.926338 | .12513028 |
| 3 | 2s | 1.321851 | .00145791 |
| 4 | 3s | 4.258787 | -.01507825 |
| 5 | 4s | 5.969812 | .00525340 |
| 6 | 5s | 9.580782 | .00197981 |
| 7 | 5s | 29.564597 | -.00005711 |
| 8 | 5s | .267992 | .00014208 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415025 | < R2 > | .233086 | < 1/R > | 3.682272 | < 1/R**2 > | 27.760842 |
Total Energy= -14.32360571 a.u.
Kinetic Energy= 14.32460266 a.u.
Potential Energy= -28.64820837 a.u.
Virial Ratio = -1.99993040