(1s 1 4p 1 ) 1 P C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.250038 | 2.31280192 |
| 2 | 3p | 1.259168 | -6.07718134 |
| 3 | 4p | 1.248508 | 4.55356300 |
| 4 | 5p | 1.515310 | -.09903619 |
| 5 | 3p | 7.228324 | -.00613661 |
| 6 | 4p | 4.889147 | -.00911793 |
| ORB.ENERGY,a.u. | -.785900 | ||
| NORM | 1.000000 | < R > | 4.624067 | < R2 > | 24.254411 | < 1/R > | .311066 | < 1/R**2 > | .257898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.893867 | .75788247 |
| 2 | 1s | 6.102332 | .25566770 |
| 3 | 2s | 5.944388 | -.01518849 |
| 4 | 3s | 6.420998 | -.00053280 |
| 5 | 4s | 3.163483 | .00016122 |
| ORB.ENERGY,a.u. | -17.661000 |
| NORM | 1.000000 | < R > | .249984 | < R2 > | .083328 | < 1/R > | 6.000508 | < 1/R**2 > | 72.011371 |
Total Energy= -18.78793075 a.u.
Kinetic Energy= 18.77715160 a.u.
Potential Energy= -37.56508235 a.u.
Virial Ratio = -2.00057406