(1s 2 2s 2 2p 4 4p 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | .585769 | -.01515690 |
| 2 | 2p | 7.115545 | .19610068 |
| 3 | 3p | 1.402373 | 2.36820227 |
| 4 | 4p | 2.928306 | -1.61586410 |
| 5 | 5p | 5.286127 | -.15888801 |
| 6 | 3p | 14.347981 | -.00350886 |
| 7 | 5p | 1.560348 | -.61250004 |
| 8 | 4p | 2.801160 | .20968515 |
| 9 | 3p | .842075 | .03352228 |
| 10 | 4p | 72.343741 | .00000345 |
| ORB.ENERGY,a.u. | -1.827500 | ||
| NORM | 1.000000 | < R > | 2.754755 | < R2 > | 8.582474 | < 1/R > | .513262 | < 1/R**2 > | .776568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.140598 | 1.17651988 |
| 2 | 3p | 5.982869 | -.24602229 |
| 3 | 2p | 11.649402 | .06511376 |
| 4 | 4p | 13.631826 | .01336118 |
| 5 | 4p | 2.121296 | .00313600 |
| 6 | 5p | 2.251902 | -.00392193 |
| 7 | 4p | 62.844089 | .00001936 |
| ORB.ENERGY,a.u. | -10.831000 | ||
| NORM | 1.000000 | < R > | .441397 | < R2 > | .239148 | < 1/R > | 2.910841 | < 1/R**2 > | 11.680351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.057780 | .38515618 |
| 2 | 2s | 6.252649 | -.84571917 |
| 3 | 3s | 5.699588 | -.29772076 |
| 4 | 4s | 16.680314 | .00721308 |
| 5 | 3s | 18.560015 | .00758389 |
| 6 | 5s | 32.007634 | .00053259 |
| 7 | 5s | 4.884769 | -.00519958 |
| 8 | 4s | 3.441156 | .00199650 |
| 9 | 2s | 66.860623 | .00001415 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489888 | < R2 > | .282851 | < 1/R > | 2.981708 | < 1/R**2 > | 36.368030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210062 | .92303070 |
| 2 | 1s | 20.950140 | .07344214 |
| 3 | 2s | 8.806003 | .02035749 |
| 4 | 3s | 10.759840 | -.02034816 |
| 5 | 4s | 13.279354 | .00950831 |
| 6 | 5s | 36.013851 | .00080904 |
| 7 | 4s | 82.074380 | -.00003752 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014398 | < 1/R > | 14.596214 | < 1/R**2 > | 429.633167 |
Total Energy= -318.48995578 a.u.
Kinetic Energy= 318.51433711 a.u.
Potential Energy= -637.00429290 a.u.
Virial Ratio = -1.99992345