(1s 2 2s 2 2p 2 3p 1 ) 4 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 3p | 1.213670 | -1.13283751 |
| 2 | 2p | 2.041395 | .28666983 |
| 3 | 2p | 5.815520 | .03446709 |
| 4 | 4p | 6.294711 | .02035097 |
| 5 | 5p | 7.559636 | -.00437406 |
| 6 | 5p | .904737 | -.00138260 |
| ORB.ENERGY,a.u. | -.683000 | ||
| NORM | 1.000000 | < R > | 3.120240 | < R2 > | 10.892950 | < 1/R > | .380079 | < 1/R**2 > | .232446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.808506 | .83669093 |
| 2 | 2p | 4.796086 | .19199817 |
| 3 | 2p | 10.769703 | .00712368 |
| 4 | 3p | 1.839881 | .01826194 |
| 5 | 4p | 1.541577 | -.07016346 |
| 6 | 5p | 40.121746 | .00004676 |
| 7 | 5p | 1.240596 | -.00934481 |
| 8 | 3p | 46.010753 | .00001377 |
| ORB.ENERGY,a.u. | -2.732500 | ||
| NORM | 1.000000 | < R > | .801880 | < R2 > | .797395 | < 1/R > | 1.599175 | < 1/R**2 > | 3.525453 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.468823 | .33017096 |
| 2 | 2s | 3.400447 | -.85083943 |
| 3 | 3s | 3.070540 | -.25963271 |
| 4 | 4s | 10.638809 | .01544807 |
| 5 | 3s | 12.174056 | .01006818 |
| 6 | 5s | 2.893322 | -.00998260 |
| 7 | 5s | 35.433006 | -.00010668 |
| 8 | 2s | 45.813020 | .00002129 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .883621 | < R2 > | .923608 | < 1/R > | 1.631468 | < 1/R**2 > | 10.841917 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277642 | .68779862 |
| 2 | 1s | 12.187885 | .22286109 |
| 3 | 1s | 2.748759 | .00565460 |
| 4 | 2s | 9.053790 | .12773550 |
| 5 | 3s | 10.166789 | -.02746687 |
| 6 | 4s | 17.022894 | .00347178 |
| 7 | 5s | 4.773772 | -.00118934 |
| 8 | 5s | 54.553146 | -.00002698 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175263 | < R2 > | .041318 | < 1/R > | 8.644263 | < 1/R**2 > | 151.197591 |
Total Energy= -95.99889113 a.u.
Kinetic Energy= 96.00253944 a.u.
Potential Energy= -192.00143057 a.u.
Virial Ratio = -1.99996200