(1s 2 2s 1 4p 1 ) 1 P O 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 | 2.161448 | .78264706 |
| 2 | 3p | 1.648009 | -1.77828542 |
| 3 | 4p | 1.260082 | 2.28912536 |
| 4 | 5p | 1.779505 | -.64508891 |
| 5 | 4p | 4.906050 | -.04566052 |
| 6 | 2p | 9.465889 | .00436819 |
| ORB.ENERGY,a.u. | -.822190 | ||
| NORM | 1.000001 | < R > | 4.363676 | < R2 > | 21.610342 | < 1/R > | .332696 | < 1/R**2 > | .318924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.616868 | .37132788 |
| 2 | 2s | 3.148070 | -.86193685 |
| 3 | 3s | 3.687056 | -.24712145 |
| 4 | 4s | 9.307332 | .03307654 |
| 5 | 3s | 10.212531 | .01100665 |
| 6 | 5s | 6.146148 | -.01297964 |
| 7 | 4s | 1.664710 | -.00140021 |
| 8 | 5s | 11.472323 | -.00844712 |
| ORB.ENERGY,a.u. | -4.752100 | ||
| NORM | 1.000000 | < R > | .896781 | < R2 > | .938043 | < 1/R > | 1.615995 | < 1/R**2 > | 10.546712 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.242189 | .87186746 |
| 2 | 1s | 10.949573 | .12884169 |
| 3 | 2s | 4.981887 | .02648899 |
| 4 | 3s | 6.360892 | -.02998446 |
| 5 | 4s | 14.530518 | .00411421 |
| 6 | 5s | 8.529419 | .00443103 |
| 7 | 5s | 50.387861 | -.00003541 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197226 | < R2 > | .052251 | < 1/R > | 7.675448 | < 1/R**2 > | 119.180981 |
Total Energy= -65.00727574 a.u.
Kinetic Energy= 65.00009551 a.u.
Potential Energy= -130.00737125 a.u.
Virial Ratio = -2.00011046