(1s 2 5p 1 ) 2 P B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | .454703 | 5.54131395 |
| 2 | 3p | .742402 | -6.63064046 |
| 3 | 4p | .573945 | 7.98131782 |
| 4 | 5p | .591520 | -8.24086471 |
| 5 | 2p | 3.547199 | .01698907 |
| 6 | 5p | 3.834820 | .00391599 |
| 7 | 3p | 5.189854 | -.00320335 |
| ORB.ENERGY,a.u. | -.182880 | ||
| NORM | .999995 | < R > | 11.968134 | < R2 > | 161.331796 | < 1/R > | .123077 | < 1/R**2 > | .053775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.222432 | .73089028 |
| 2 | 1s | 7.064175 | .21855736 |
| 3 | 2s | 5.740336 | .07705582 |
| 4 | 3s | 5.551969 | -.01321780 |
| 5 | 4s | 8.540509 | .00597099 |
| 6 | 5s | 30.951501 | -.00007730 |
| 7 | 5s | 4.928396 | -.00229704 |
| ORB.ENERGY,a.u. | -9.170200 |
| NORM | 1.000000 | < R > | .324568 | < R2 > | .141966 | < 1/R > | 4.686739 | < 1/R**2 > | 44.728482 |
Total Energy= -22.16910362 a.u.
Kinetic Energy= 22.16910342 a.u.
Potential Energy= -44.33820704 a.u.
Virial Ratio = -2.00000001