(1s 2 4p 1 ) 2 P B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .523803 | .26783743 |
| 2 | 2p | .792854 | 1.76856441 |
| 3 | 3p | .770110 | -5.54346439 |
| 4 | 4p | .765775 | 4.16461179 |
| 5 | 2p | 2.699743 | .04835530 |
| 6 | 3p | 3.893275 | -.01885586 |
| 7 | 5p | 12.796148 | -.00024378 |
| 8 | 5p | .384499 | -.00145593 |
| ORB.ENERGY,a.u. | -.286850 | ||
| NORM | 1.000000 | < R > | 7.507783 | < R2 > | 63.984369 | < 1/R > | .193550 | < 1/R**2 > | .105744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.224303 | .73063077 |
| 2 | 1s | 7.061767 | .21848865 |
| 3 | 2s | 5.725091 | .07750101 |
| 4 | 3s | 5.762963 | -.01286575 |
| 5 | 4s | 8.712672 | .00600743 |
| 6 | 5s | 31.415340 | -.00006330 |
| 7 | 5s | 5.062880 | -.00273411 |
| ORB.ENERGY,a.u. | -9.266000 |
| NORM | 1.000000 | < R > | .324645 | < R2 > | .142047 | < 1/R > | 4.686021 | < 1/R**2 > | 44.717906 |
Total Energy= -22.27307192 a.u.
Kinetic Energy= 22.27307481 a.u.
Potential Energy= -44.54614672 a.u.
Virial Ratio = -1.99999987