(1s 2 2s 2 2p 1 3s 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 6.912305 | .11757620 |
| 2 | 2s | 2.227907 | -.54746132 |
| 3 | 3s | 1.319307 | 1.20333170 |
| 4 | 4s | 5.302598 | -.04771885 |
| 5 | 5s | 9.135219 | -.00730121 |
| 6 | 5s | 1.163073 | .00394136 |
| ORB.ENERGY,a.u. | -.785710 | ||
| NORM | 1.000000 | < R > | 2.919119 | < R2 > | 9.657665 | < 1/R > | .469649 | < 1/R**2 > | 1.284168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.599652 | .85046630 |
| 2 | 2p | 4.252503 | .15118685 |
| 3 | 2p | 9.293551 | .00795708 |
| 4 | 3p | 5.156090 | -.00504525 |
| 5 | 4p | 2.261918 | .03021157 |
| 6 | 4p | 13.537266 | -.00067512 |
| ORB.ENERGY,a.u. | -2.424600 | ||
| NORM | 1.000000 | < R > | .916843 | < R2 > | 1.032157 | < 1/R > | 1.401794 | < 1/R**2 > | 2.714575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.227821 | .29037589 |
| 2 | 2s | 2.519217 | -.74682928 |
| 3 | 3s | 3.958862 | -.28467144 |
| 4 | 4s | 15.626714 | .00167295 |
| 5 | 5s | 8.176537 | -.02356053 |
| 6 | 5s | 3.742925 | -.00306531 |
| 7 | 4s | 1.461635 | -.00907544 |
| 8 | 3s | 4.774463 | .00764659 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .989876 | < R2 > | 1.158837 | < 1/R > | 1.453887 | < 1/R**2 > | 8.571070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.349523 | .73349659 |
| 2 | 1s | 10.723499 | .19878955 |
| 3 | 1s | 3.568150 | .00362082 |
| 4 | 2s | 7.701840 | .09898943 |
| 5 | 3s | 8.609533 | -.02322712 |
| 6 | 4s | 14.885833 | .00463878 |
| 7 | 5s | 1.836800 | .00029619 |
| 8 | 3s | 33.101407 | -.00004076 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197796 | < R2 > | .052607 | < 1/R > | 7.660167 | < 1/R**2 > | 118.799222 |
Total Energy= -71.87426938 a.u.
Kinetic Energy= 71.87999359 a.u.
Potential Energy= -143.75426297 a.u.
Virial Ratio = -1.99992036