(1s 2 4p 1 ) 2 P C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | .629836 | .12213556 |
| 2 | 2p | 1.028696 | 1.95468941 |
| 3 | 3p | 1.020082 | -5.71949022 |
| 4 | 4p | 1.017796 | 4.30738174 |
| 5 | 2p | 3.370290 | .04562187 |
| 6 | 3p | 4.851475 | -.01689498 |
| 7 | 5p | 15.495577 | -.00020973 |
| 8 | 5p | .591609 | -.00327905 |
| ORB.ENERGY,a.u. | -.508910 | ||
| NORM | 1.000000 | < R > | 5.644079 | < R2 > | 36.154253 | < 1/R > | .256914 | < 1/R**2 > | .184419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.226666 | .71472419 |
| 2 | 1s | 8.146623 | .22993369 |
| 3 | 2s | 6.415175 | .08057410 |
| 4 | 3s | 6.567492 | -.01339987 |
| 5 | 4s | 10.652479 | .00543192 |
| 6 | 5s | 40.769575 | -.00003668 |
| 7 | 5s | 5.850858 | -.00119061 |
| ORB.ENERGY,a.u. | -14.081000 |
| NORM | 1.000000 | < R > | .266882 | < R2 > | .095807 | < 1/R > | 5.685715 | < 1/R**2 > | 65.622161 |
Total Energy= -32.87005300 a.u.
Kinetic Energy= 32.87005380 a.u.
Potential Energy= -65.74010680 a.u.
Virial Ratio = -1.99999998