(1s 1 4p 1 ) 3 P B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | .626694 | .81900935 |
| 2 | 2p | 1.410095 | .85797901 |
| 3 | 3p | 1.121256 | -3.14097814 |
| 4 | 4p | .948978 | 2.39545516 |
| 5 | 5p | .864059 | -.37918914 |
| 6 | 2p | 4.311808 | .01329988 |
| 7 | 5p | 11.286672 | .00017512 |
| 8 | 4p | 7.617588 | -.00142141 |
| ORB.ENERGY,a.u. | -.512600 | ||
| NORM | .999995 | < R > | 5.650990 | < R2 > | 36.233401 | < 1/R > | .255853 | < 1/R**2 > | .180655 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.902090 | .75817104 |
| 2 | 1s | 5.102121 | .25552602 |
| 3 | 2s | 5.064113 | -.01515210 |
| 4 | 3s | 6.459654 | -.00039389 |
| 5 | 4s | 2.815452 | -.00023724 |
| ORB.ENERGY,a.u. | -12.231000 |
| NORM | 1.000000 | < R > | .300259 | < R2 > | .120232 | < 1/R > | 4.996867 | < 1/R**2 > | 49.949206 |
Total Energy= -13.00528565 a.u.
Kinetic Energy= 13.00838350 a.u.
Potential Energy= -26.01366915 a.u.
Virial Ratio = -1.99976186