(1s 2 2s 2 2p 2 4p 1 ) 4 P N 0
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 | 1.894583 | .07173001 |
| 2 | 3p | .470631 | -.75637051 |
| 3 | 4p | .333504 | 1.00666587 |
| 4 | 5p | 1.101476 | -.04137611 |
| 5 | 2p | 4.184842 | .01408172 |
| 6 | 5p | .322493 | .30997746 |
| 7 | 5p | 5.650342 | .00332161 |
| 8 | 4p | 13.988243 | -.00016013 |
| ORB.ENERGY,a.u. | -.045942 | ||
| NORM | .999999 | < R > | 15.450843 | < R2 > | 270.928671 | < 1/R > | .086602 | < 1/R**2 > | .019875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.756616 | .72965112 |
| 2 | 2p | 3.003850 | .27585944 |
| 3 | 2p | 6.977978 | .01606107 |
| 4 | 3p | 1.032515 | .03245039 |
| 5 | 2p | 4.617210 | .00706167 |
| 6 | 5p | 8.360160 | .00406853 |
| 7 | 5p | 8.427720 | -.00044633 |
| 8 | 5p | 1.211631 | -.01334100 |
| 9 | 3p | .170139 | -.00015850 |
| ORB.ENERGY,a.u. | -.954330 | ||
| NORM | 1.000000 | < R > | 1.243746 | < R2 > | 1.933000 | < 1/R > | 1.055981 | < 1/R**2 > | 1.580596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.875368 | .28775340 |
| 2 | 2s | 2.480524 | -.82930196 |
| 3 | 3s | 1.966813 | -.26854463 |
| 4 | 4s | 8.092886 | .02349123 |
| 5 | 3s | 9.792570 | .00889335 |
| 6 | 5s | 3.074267 | -.02341269 |
| 7 | 5s | 15.740110 | .00094848 |
| 8 | 2s | 48.057870 | .00000422 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253416 | < R2 > | 1.876212 | < 1/R > | 1.140358 | < 1/R**2 > | 5.282721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229880 | .71795040 |
| 2 | 1s | 9.302302 | .22514347 |
| 3 | 1s | 2.658317 | .00487372 |
| 4 | 2s | 6.904683 | .08338964 |
| 5 | 3s | 7.778391 | -.02158367 |
| 6 | 4s | 12.679892 | .00689217 |
| 7 | 5s | 28.042522 | .00017158 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228089 | < R2 > | .070097 | < 1/R > | 6.656647 | < 1/R**2 > | 89.909332 |
Total Energy= -53.93347433 a.u.
Kinetic Energy= 53.93394347 a.u.
Potential Energy= -107.86741781 a.u.
Virial Ratio = -1.99999130