(1s 2 2s 1 4p 1 ) 1 P B +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.314020 | .42949744 |
| 2 | 3p | .473531 | -2.56924580 |
| 3 | 4p | .505474 | 3.38339992 |
| 4 | 5p | .889244 | -.42242510 |
| 5 | 4p | 2.597955 | -.05811031 |
| 6 | 2p | 5.463202 | .00481261 |
| 7 | 5p | .397605 | -.01512706 |
| ORB.ENERGY,a.u. | -.134610 | ||
| NORM | 1.000002 | < R > | 10.588310 | < R2 > | 127.901925 | < 1/R > | .143936 | < 1/R**2 > | .068697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.424551 | .27743027 |
| 2 | 2s | 1.644802 | -.75844402 |
| 3 | 3s | 2.155185 | -.29421880 |
| 4 | 4s | 5.616279 | .02514831 |
| 5 | 3s | 6.387901 | .01675686 |
| 6 | 5s | 1.983761 | -.02087511 |
| 7 | 5s | 20.990495 | -.00014434 |
| 8 | 3s | 57.712395 | .00000679 |
| ORB.ENERGY,a.u. | -1.237900 | ||
| NORM | 1.000000 | < R > | 1.648081 | < R2 > | 3.174990 | < 1/R > | .856764 | < 1/R**2 > | 2.939693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.340383 | .87602506 |
| 2 | 1s | 7.127574 | .13177688 |
| 3 | 2s | 2.561768 | .01941444 |
| 4 | 3s | 3.358367 | -.03392391 |
| 5 | 4s | 3.856297 | .01383326 |
| 6 | 5s | 11.374533 | .00267227 |
| 7 | 3s | 19.393552 | -.00020441 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | 1.000000 | < R > | .325363 | < R2 > | .142852 | < 1/R > | 4.679355 | < 1/R**2 > | 44.614730 |
Total Energy= -23.51629642 a.u.
Kinetic Energy= 23.51059571 a.u.
Potential Energy= -47.02689212 a.u.
Virial Ratio = -2.00024247