(1s 2 2s 2 2p 1 5s 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 5.353085 | .02081152 |
| 2 | 2s | 1.579365 | -.09531645 |
| 3 | 3s | .586194 | .52748238 |
| 4 | 4s | .333188 | -1.61997811 |
| 5 | 5s | .263519 | 1.79075450 |
| 6 | 5s | .890250 | -.00399445 |
| 7 | 4s | 4.167653 | -.00995238 |
| 8 | 3s | 7.362364 | .00050390 |
| 9 | 2s | .120321 | .01828277 |
| ORB.ENERGY,a.u. | -.031514 | ||
| NORM | 1.000003 | < R > | 23.878364 | < R2 > | 639.487344 | < 1/R > | .057729 | < 1/R**2 > | .028095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.586332 | .78532781 |
| 2 | 2p | 2.498188 | .25754449 |
| 3 | 2p | 6.544389 | .01037007 |
| 4 | 3p | 2.776953 | -.05608923 |
| 5 | 4p | 1.525565 | .04856137 |
| 6 | 4p | 10.353943 | -.00066409 |
| ORB.ENERGY,a.u. | -.810730 | ||
| NORM | 1.000000 | < R > | 1.473420 | < R2 > | 2.692894 | < 1/R > | .884703 | < 1/R**2 > | 1.102232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.614510 | .23809187 |
| 2 | 2s | 1.593521 | -.68581121 |
| 3 | 3s | 2.546301 | -.25882346 |
| 4 | 4s | 4.451303 | -.09109847 |
| 5 | 5s | 7.411610 | -.00815831 |
| 6 | 3s | 43.115870 | .00001804 |
| 7 | 5s | .377023 | .00736306 |
| 8 | 4s | .266087 | -.00778845 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476129 | < R2 > | 2.593951 | < 1/R > | .960925 | < 1/R**2 > | 3.714681 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213053 | .71612126 |
| 2 | 1s | 8.200184 | .22617023 |
| 3 | 1s | 2.356461 | .00341187 |
| 4 | 2s | 6.449077 | .08058805 |
| 5 | 3s | 6.788513 | -.01402015 |
| 6 | 4s | 10.931980 | .00567222 |
| 7 | 5s | 42.540980 | -.00002596 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268103 | < R2 > | .096880 | < 1/R > | 5.668480 | < 1/R**2 > | 65.302346 |
Total Energy= -37.32354151 a.u.
Kinetic Energy= 37.32373246 a.u.
Potential Energy= -74.64727396 a.u.
Virial Ratio = -1.99999488