(1s 1 3p 1 ) 3 P C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 1.925380 | 1.10663240 |
| 2 | 3p | 1.621198 | -1.86458904 |
| 3 | 2p | 5.349555 | .02113928 |
| 4 | 4p | 1.618356 | .16700091 |
| 5 | 3p | 3.595195 | .02150300 |
| 6 | 5p | 11.700418 | -.00055202 |
| ORB.ENERGY,a.u. | -1.424400 | ||
| NORM | 1.000000 | < R > | 2.449093 | < R2 > | 6.915614 | < 1/R > | .570586 | < 1/R**2 > | .666461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.884980 | .75777222 |
| 2 | 1s | 6.102070 | .25602838 |
| 3 | 2s | 6.224050 | -.01522014 |
| 4 | 3s | 8.395083 | -.00049260 |
| 5 | 4s | 15.794650 | .00002471 |
| 6 | 5s | 8.559643 | .00030730 |
| 7 | 5s | 3.045591 | -.00040314 |
| ORB.ENERGY,a.u. | -17.424000 |
| NORM | 1.000000 | < R > | .250487 | < R2 > | .083701 | < 1/R > | 5.991608 | < 1/R**2 > | 71.837248 |
Total Energy= -19.40570723 a.u.
Kinetic Energy= 19.41553019 a.u.
Potential Energy= -38.82123741 a.u.
Virial Ratio = -1.99949407