(1s 1 4p 1 ) 3 P C 4+
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 | 1.375178 | 2.42169807 |
| 2 | 3p | 1.717432 | -3.18014567 |
| 3 | 4p | 1.222879 | 2.30496646 |
| 4 | 5p | 1.763215 | -1.14357066 |
| 5 | 2p | 4.376460 | -.01688662 |
| 6 | 5p | 3.433983 | .04766994 |
| 7 | 3p | 4.812706 | -.02456971 |
| 8 | 4p | 21.170331 | .00004483 |
| ORB.ENERGY,a.u. | -.801130 | ||
| NORM | 1.000001 | < R > | 4.532827 | < R2 > | 23.310935 | < 1/R > | .318585 | < 1/R**2 > | .278317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.889334 | .75791265 |
| 2 | 1s | 6.102034 | .25587466 |
| 3 | 2s | 6.065175 | -.01539072 |
| 4 | 3s | 8.057581 | -.00028149 |
| 5 | 4s | 3.537338 | -.00022585 |
| ORB.ENERGY,a.u. | -17.676000 |
| NORM | 1.000000 | < R > | .250189 | < R2 > | .083473 | < 1/R > | 5.996671 | < 1/R**2 > | 71.935011 |
Total Energy= -18.78836037 a.u.
Kinetic Energy= 18.79237240 a.u.
Potential Energy= -37.58073277 a.u.
Virial Ratio = -1.99978651