(1s 1 5p 1 ) 1 P B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 1.194176 | 1.06482115 |
| 2 | 3p | .867934 | -6.19418330 |
| 3 | 4p | .801206 | 11.95790096 |
| 4 | 5p | .789786 | -7.56920315 |
| 5 | 3p | 5.228126 | -.00583828 |
| 6 | 5p | 2.366240 | .02973387 |
| 7 | 2p | .452250 | .14035574 |
| 8 | 4p | 13.115803 | -.00018049 |
| ORB.ENERGY,a.u. | -.322590 | ||
| NORM | 1.000012 | < R > | 9.170985 | < R2 > | 94.699482 | < 1/R > | .159266 | < 1/R**2 > | .084385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.906037 | .75815078 |
| 2 | 1s | 5.102308 | .25530429 |
| 3 | 2s | 4.925794 | -.01520826 |
| 4 | 3s | 5.215674 | -.00038616 |
| 5 | 4s | 2.739634 | .00009284 |
| ORB.ENERGY,a.u. | -12.323000 |
| NORM | 1.000000 | < R > | .299986 | < R2 > | .119992 | < 1/R > | 5.000265 | < 1/R**2 > | 50.004839 |
Total Energy= -12.82252048 a.u.
Kinetic Energy= 12.81839602 a.u.
Potential Energy= -25.64091650 a.u.
Virial Ratio = -2.00032176