(1s 2 2s 1 2p 1 ) 3 P Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | .854016 | .87271245 |
| 2 | 2p | 1.706320 | .18535956 |
| 3 | 3p | 2.406720 | -.07107957 |
| 4 | 4p | .722823 | .08983384 |
| 5 | 4p | 5.051638 | -.00672840 |
| 6 | 5p | .744227 | -.03163435 |
| 7 | 5p | 10.277656 | -.00031629 |
| 8 | 3p | 7.620873 | -.00084916 |
| ORB.ENERGY,a.u. | -.234090 | ||
| NORM | 1.000000 | < R > | 2.883096 | < R2 > | 10.238944 | < 1/R > | .449232 | < 1/R**2 > | .284015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.725255 | .19445402 |
| 2 | 2s | .979626 | -.71527988 |
| 3 | 3s | 1.749462 | -.25751459 |
| 4 | 4s | 4.766023 | .01398739 |
| 5 | 3s | 5.092477 | .01098218 |
| 6 | 5s | 1.544057 | -.05271942 |
| 7 | 4s | .954976 | -.02629078 |
| 8 | 5s | 21.188821 | -.00006453 |
| ORB.ENERGY,a.u. | -.380710 | ||
| NORM | 1.000000 | < R > | 2.536570 | < R2 > | 7.647480 | < 1/R > | .543632 | < 1/R**2 > | 1.144932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.377493 | .89107078 |
| 2 | 1s | 5.928813 | .12480996 |
| 3 | 2s | 2.450782 | .00347972 |
| 4 | 3s | 4.428304 | -.01674127 |
| 5 | 4s | 6.280291 | .00722843 |
| 6 | 5s | 10.169632 | .00128803 |
| 7 | 5s | 30.978471 | -.00003851 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415450 | < R2 > | .233639 | < 1/R > | 3.679977 | < 1/R**2 > | 27.735621 |
Total Energy= -14.47592888 a.u.
Kinetic Energy= 14.51150183 a.u.
Potential Energy= -28.98743071 a.u.
Virial Ratio = -1.99754864