(1s 2 2s 2 4p 1 ) 2 P B 0
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 | 1.173565 | .20158312 |
| 2 | 3p | .367622 | -1.21754390 |
| 3 | 4p | .286484 | 1.63449716 |
| 4 | 5p | 2.631464 | -.01516057 |
| 5 | 2p | 3.988412 | .00700312 |
| 6 | 5p | 1.171902 | .05669135 |
| 7 | 4p | 9.278679 | -.00021541 |
| ORB.ENERGY,a.u. | -.039917 | ||
| NORM | 1.000008 | < R > | 17.939586 | < R2 > | 364.234563 | < 1/R > | .078577 | < 1/R**2 > | .020358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.618885 | .23279728 |
| 2 | 2s | 1.322745 | -.74291196 |
| 3 | 3s | 2.167339 | -.27013290 |
| 4 | 4s | 9.022101 | .00460061 |
| 5 | 5s | 4.524174 | -.03929428 |
| 6 | 3s | 2.146793 | .00623919 |
| 7 | 4s | 1.307983 | .01316225 |
| 8 | 5s | 24.345382 | .00007688 |
| 9 | 2s | 39.615632 | -.00000409 |
| ORB.ENERGY,a.u. | -.761240 | ||
| NORM | 1.000000 | < R > | 1.801162 | < R2 > | 3.838995 | < 1/R > | .778847 | < 1/R**2 > | 2.405705 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.207817 | .73065551 |
| 2 | 1s | 7.041278 | .22051764 |
| 3 | 2s | 5.693580 | .07653912 |
| 4 | 3s | 5.093795 | -.01398262 |
| 5 | 4s | 8.659502 | .00405116 |
| 6 | 5s | 20.823113 | -.00011941 |
| 7 | 3s | 17.022061 | -.00030891 |
| ORB.ENERGY,a.u. | -7.888500 |
| NORM | 1.000000 | < R > | .325291 | < R2 > | .142708 | < 1/R > | 4.678998 | < 1/R**2 > | 44.602638 |
Total Energy= -24.27749317 a.u.
Kinetic Energy= 24.27749580 a.u.
Potential Energy= -48.55498896 a.u.
Virial Ratio = -1.99999989