(1s 2 2s 2 2p 1 4s 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 6.889757 | .06214934 |
| 2 | 2s | 1.748186 | -.53473725 |
| 3 | 3s | 1.427243 | 1.10090335 |
| 4 | 4s | .880960 | -1.65063143 |
| 5 | 5s | 8.389878 | -.00296030 |
| 6 | 5s | 1.422333 | .51270915 |
| 7 | 4s | 5.802382 | -.01435125 |
| 8 | 5s | 20.184831 | .00016828 |
| ORB.ENERGY,a.u. | -.380880 | ||
| NORM | 1.000001 | < R > | 5.951855 | < R2 > | 39.750312 | < 1/R > | .228839 | < 1/R**2 > | .366233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.572835 | .87433388 |
| 2 | 2p | 4.401604 | .14495099 |
| 3 | 2p | 9.859171 | .00637305 |
| 4 | 3p | 2.632371 | -.00890057 |
| 5 | 4p | 2.348829 | .01173658 |
| 6 | 4p | 7.958943 | -.00076893 |
| 7 | 5p | 17.560158 | -.00031742 |
| 8 | 5p | 1.047558 | .00051964 |
| ORB.ENERGY,a.u. | -2.599400 | ||
| NORM | 1.000000 | < R > | .910623 | < R2 > | 1.015036 | < 1/R > | 1.408302 | < 1/R**2 > | 2.736126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.269463 | .28965866 |
| 2 | 2s | 2.457830 | -.75651138 |
| 3 | 3s | 4.026784 | -.28203894 |
| 4 | 4s | 15.358708 | .00179539 |
| 5 | 5s | 8.218766 | -.02142685 |
| 6 | 5s | .937439 | -.00809375 |
| 7 | 4s | 2.236392 | .02613058 |
| 8 | 3s | 3.294808 | -.00936524 |
| 9 | 5s | 47.396701 | .00000484 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .981606 | < R2 > | 1.136197 | < 1/R > | 1.463538 | < 1/R**2 > | 8.670324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.503977 | .01215758 |
| 2 | 1s | 7.373780 | .72907541 |
| 3 | 1s | 10.717264 | .19680486 |
| 4 | 2s | 7.672309 | .09763705 |
| 5 | 3s | 8.382695 | -.02416935 |
| 6 | 4s | 14.823712 | .00438833 |
| 7 | 5s | 59.139023 | -.00001817 |
| 8 | 5s | 1.034512 | .00121244 |
| 9 | 4s | 1.045616 | -.00090966 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197809 | < R2 > | .052624 | < 1/R > | 7.659998 | < 1/R**2 > | 118.796664 |
Total Energy= -71.47971029 a.u.
Kinetic Energy= 71.47543097 a.u.
Potential Energy= -142.95514126 a.u.
Virial Ratio = -2.00005987