(1s 2 2s 1 4p 1 ) 3 P N 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 | 1.232142 | 1.87221804 |
| 2 | 3p | 1.501828 | -2.52573567 |
| 3 | 4p | 1.014432 | 2.02984708 |
| 4 | 5p | 1.519981 | -.91040959 |
| 5 | 2p | 9.716519 | .00319413 |
| 6 | 5p | 4.836667 | -.01594635 |
| 7 | 3p | 8.792439 | .00320637 |
| ORB.ENERGY,a.u. | -.538170 | ||
| NORM | .999998 | < R > | 5.340407 | < R2 > | 32.319767 | < 1/R > | .269333 | < 1/R**2 > | .207547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.863286 | .34984188 |
| 2 | 2s | 2.682529 | -.85531558 |
| 3 | 3s | 3.130543 | -.23807169 |
| 4 | 4s | 7.144132 | .02641894 |
| 5 | 3s | 8.719326 | .02058816 |
| 6 | 5s | 5.666361 | -.01497171 |
| 7 | 4s | 2.521083 | -.01465071 |
| 8 | 5s | 12.343796 | .00176740 |
| 9 | 5s | 1.450364 | .00124835 |
| 10 | 2s | 24.657313 | .00010280 |
| ORB.ENERGY,a.u. | -3.337300 | ||
| NORM | 1.000000 | < R > | 1.056278 | < R2 > | 1.302267 | < 1/R > | 1.364417 | < 1/R**2 > | 7.512975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.271363 | .89261506 |
| 2 | 1s | 9.956879 | .11466728 |
| 3 | 2s | 3.939513 | .02208664 |
| 4 | 3s | 6.569240 | -.02347254 |
| 5 | 4s | 12.391830 | .00437078 |
| 6 | 5s | 5.621423 | -.00606171 |
| 7 | 5s | 43.397331 | -.00005522 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226997 | < R2 > | .069280 | < 1/R > | 6.677133 | < 1/R**2 > | 90.340956 |
Total Energy= -48.86301057 a.u.
Kinetic Energy= 48.86495501 a.u.
Potential Energy= -97.72796557 a.u.
Virial Ratio = -1.99996021