(1s 2 2s 1 3p 1 ) 3 P Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | .687815 | .50928613 |
| 2 | 3p | .385944 | -1.15660294 |
| 3 | 2p | 2.856397 | .02032645 |
| 4 | 4p | 2.718354 | .01853218 |
| 5 | 5p | 1.318839 | -.05370601 |
| 6 | 3p | 5.429644 | -.00021330 |
| ORB.ENERGY,a.u. | -.071464 | ||
| NORM | 1.000001 | < R > | 9.740720 | < R2 > | 108.177365 | < 1/R > | .137192 | < 1/R**2 > | .041233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.622559 | .22948186 |
| 2 | 2s | 1.165963 | -.73068114 |
| 3 | 3s | 1.605026 | -.28803590 |
| 4 | 4s | 4.308364 | .02460195 |
| 5 | 3s | 4.907712 | .02002193 |
| 6 | 5s | 1.469234 | -.04108128 |
| 7 | 5s | 15.872268 | -.00015942 |
| 8 | 3s | 42.197227 | .00000958 |
| ORB.ENERGY,a.u. | -.509220 | ||
| NORM | 1.000000 | < R > | 2.291369 | < R2 > | 6.150089 | < 1/R > | .603896 | < 1/R**2 > | 1.430967 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.374314 | .89204983 |
| 2 | 1s | 5.925521 | .12526139 |
| 3 | 2s | 1.336280 | .00134031 |
| 4 | 3s | 4.279400 | -.01473320 |
| 5 | 4s | 6.008449 | .00498020 |
| 6 | 5s | 9.523753 | .00199544 |
| 7 | 5s | 29.439016 | -.00005896 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415068 | < R2 > | .233132 | < 1/R > | 3.682031 | < 1/R**2 > | 27.758232 |
Total Energy= -14.34660448 a.u.
Kinetic Energy= 14.34885620 a.u.
Potential Energy= -28.69546067 a.u.
Virial Ratio = -1.99984307