(1s 1 4p 1 ) 1 P B 3+
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 | .999782 | 2.32043540 |
| 2 | 3p | 1.009115 | -6.04354272 |
| 3 | 4p | .998387 | 4.52585990 |
| 4 | 5p | 1.220651 | -.11560664 |
| 5 | 3p | 5.996392 | -.00673437 |
| 6 | 4p | 4.035774 | -.01000987 |
| ORB.ENERGY,a.u. | -.501050 | ||
| NORM | .999998 | < R > | 5.786687 | < R2 > | 37.982718 | < 1/R > | .248475 | < 1/R**2 > | .164289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.906396 | .75817287 |
| 2 | 1s | 5.102370 | .25526499 |
| 3 | 2s | 4.926056 | -.01509668 |
| 4 | 3s | 5.309434 | -.00050548 |
| 5 | 4s | 2.479694 | .00016849 |
| ORB.ENERGY,a.u. | -12.220000 |
| NORM | 1.000000 | < R > | .299966 | < R2 > | .119978 | < 1/R > | 5.000580 | < 1/R**2 > | 50.010346 |
Total Energy= -13.00486887 a.u.
Kinetic Energy= 12.99683357 a.u.
Potential Energy= -26.00170245 a.u.
Virial Ratio = -2.00061825