(1s 2 2s 2 2p 1 4p 1 ) 1 P O 2+
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 | 2.434813 | .27162037 |
| 2 | 3p | .945349 | -1.68955612 |
| 3 | 4p | .840692 | 1.81709481 |
| 4 | 5p | 4.779533 | -.02102318 |
| 5 | 2p | 6.426914 | .01239176 |
| 6 | 5p | 1.117053 | .31335124 |
| 7 | 4p | 15.930934 | -.00020484 |
| ORB.ENERGY,a.u. | -.347350 | ||
| NORM | 1.000003 | < R > | 6.216001 | < R2 > | 43.628496 | < 1/R > | .222558 | < 1/R**2 > | .141347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.627065 | .85985461 |
| 2 | 2p | 4.327211 | .14406591 |
| 3 | 2p | 9.605824 | .00680937 |
| 4 | 3p | 4.812142 | -.00757938 |
| 5 | 4p | 2.532668 | .02778774 |
| 6 | 4p | 12.870567 | -.00077943 |
| ORB.ENERGY,a.u. | -2.624000 | ||
| NORM | 1.000000 | < R > | .908530 | < R2 > | 1.010570 | < 1/R > | 1.411549 | < 1/R**2 > | 2.748072 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.283982 | .28789321 |
| 2 | 2s | 2.425398 | -.76427276 |
| 3 | 3s | 4.069373 | -.28697980 |
| 4 | 4s | 14.575541 | .00216898 |
| 5 | 5s | 8.272589 | -.01914595 |
| 6 | 5s | 2.802821 | .02720593 |
| 7 | 4s | 26.312921 | .00005609 |
| 8 | 3s | .595215 | .00023504 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984608 | < R2 > | 1.142431 | < 1/R > | 1.459011 | < 1/R**2 > | 8.620248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354657 | .73303826 |
| 2 | 1s | 10.722550 | .19849946 |
| 3 | 1s | 3.660499 | .00411436 |
| 4 | 2s | 7.715403 | .09853936 |
| 5 | 3s | 8.696092 | -.02315336 |
| 6 | 4s | 14.572541 | .00532523 |
| 7 | 5s | 28.716794 | .00013991 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197816 | < R2 > | .052620 | < 1/R > | 7.659791 | < 1/R**2 > | 118.791983 |
Total Energy= -71.43215888 a.u.
Kinetic Energy= 71.44203097 a.u.
Potential Energy= -142.87418985 a.u.
Virial Ratio = -1.99986182