(1s 1 3p 1 ) 1 P B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | 1.323675 | -2.07244234 |
| 2 | 2p | 1.386419 | 1.52605384 |
| 3 | 4p | 3.586924 | -.01234767 |
| 4 | 3p | 5.366159 | -.01101458 |
| 5 | 2p | 1.133021 | -.01769164 |
| 6 | 5p | 14.865185 | -.00031844 |
| 7 | 3p | 47.379893 | .00000704 |
| ORB.ENERGY,a.u. | -.885400 | ||
| NORM | 1.000000 | < R > | 3.153137 | < R2 > | 11.453813 | < 1/R > | .440351 | < 1/R**2 > | .386953 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.907619 | .75818299 |
| 2 | 1s | 5.102182 | .25522038 |
| 3 | 2s | 4.938818 | -.01467454 |
| 4 | 3s | 5.277465 | -.00098091 |
| 5 | 4s | 1.852645 | .00037880 |
| ORB.ENERGY,a.u. | -11.997000 |
| NORM | 1.000000 | < R > | .299881 | < R2 > | .119907 | < 1/R > | 5.001704 | < 1/R**2 > | 50.029246 |
Total Energy= -13.40018743 a.u.
Kinetic Energy= 13.38114467 a.u.
Potential Energy= -26.78133211 a.u.
Virial Ratio = -2.00142310