(1s 2 2s 2 2p 1 4p 1 ) 1 D O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 1.866592 | .18977906 |
| 2 | 3p | .988902 | -1.47080847 |
| 3 | 4p | .828591 | 1.88215374 |
| 4 | 5p | 1.615801 | -.05575167 |
| 5 | 2p | 5.231084 | .01622842 |
| 6 | 5p | 8.448243 | .00235001 |
| ORB.ENERGY,a.u. | -.337180 | ||
| NORM | .999999 | < R > | 6.374237 | < R2 > | 45.760037 | < 1/R > | .198867 | < 1/R**2 > | .072019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.029200 | .90360615 |
| 2 | 3p | 1.277525 | -.07149455 |
| 3 | 2p | 8.992469 | .01252247 |
| 4 | 5p | 6.473862 | -.01232957 |
| 5 | 5p | .897295 | .09557299 |
| 6 | 4p | 2.923694 | .16818721 |
| 7 | 3p | 17.880191 | .00012969 |
| ORB.ENERGY,a.u. | -2.613800 | ||
| NORM | 1.000000 | < R > | .917705 | < R2 > | 1.226177 | < 1/R > | 1.430511 | < 1/R**2 > | 2.814881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.286095 | .28779231 |
| 2 | 2s | 2.421191 | -.76462490 |
| 3 | 3s | 4.063529 | -.28661520 |
| 4 | 4s | 15.217452 | .00181234 |
| 5 | 5s | 8.251912 | -.02038685 |
| 6 | 5s | 2.820890 | .02911548 |
| 7 | 3s | .619613 | .00023990 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984489 | < R2 > | 1.142113 | < 1/R > | 1.459157 | < 1/R**2 > | 8.621807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354690 | .73302776 |
| 2 | 1s | 10.722442 | .19850603 |
| 3 | 1s | 3.656036 | .00412141 |
| 4 | 2s | 7.715618 | .09853337 |
| 5 | 3s | 8.696283 | -.02314991 |
| 6 | 4s | 14.573075 | .00532773 |
| 7 | 5s | 28.735437 | .00013963 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197816 | < R2 > | .052620 | < 1/R > | 7.659793 | < 1/R**2 > | 118.792076 |
Total Energy= -71.43638813 a.u.
Kinetic Energy= 71.43185743 a.u.
Potential Energy= -142.86824555 a.u.
Virial Ratio = -2.00006343