(1s 2 2s 2 3s 1 ) 2 S B 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 4.464361 | .06119834 |
| 2 | 2s | 1.234548 | -.30702940 |
| 3 | 3s | .560933 | 1.02795553 |
| 4 | 4s | 3.274252 | -.03224400 |
| 5 | 5s | .531334 | .05884582 |
| 6 | 4s | 8.154006 | .00165508 |
| 7 | 3s | 33.632589 | -.00000727 |
| ORB.ENERGY,a.u. | -.114550 | ||
| NORM | 1.000000 | < R > | 6.730996 | < R2 > | 51.408164 | < 1/R > | .189323 | < 1/R**2 > | .169533 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.625650 | .23227715 |
| 2 | 2s | 1.336572 | -.72530513 |
| 3 | 3s | 2.159001 | -.27360543 |
| 4 | 4s | 8.528547 | .00392201 |
| 5 | 5s | 4.544983 | -.03747261 |
| 6 | 3s | 7.763291 | .00170242 |
| 7 | 5s | .699408 | -.00169955 |
| ORB.ENERGY,a.u. | -.652140 | ||
| NORM | 1.000000 | < R > | 1.802770 | < R2 > | 3.850049 | < 1/R > | .778656 | < 1/R**2 > | 2.405469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.206688 | .73069169 |
| 2 | 1s | 7.039730 | .22069718 |
| 3 | 2s | 5.690241 | .07649390 |
| 4 | 3s | 5.070643 | -.01397312 |
| 5 | 4s | 8.742779 | .00383387 |
| 6 | 5s | 20.089927 | -.00013122 |
| 7 | 3s | 16.763998 | -.00033566 |
| ORB.ENERGY,a.u. | -7.764200 |
| NORM | 1.000000 | < R > | .325293 | < R2 > | .142709 | < 1/R > | 4.678933 | < 1/R**2 > | 44.601264 |
Total Energy= -24.35210439 a.u.
Kinetic Energy= 24.35210044 a.u.
Potential Energy= -48.70420483 a.u.
Virial Ratio = -2.00000016