(1s 2 2s 2 2p 6 4p 1 ) 2 P Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 5p | .375099 | .62570056 |
| 2 | 5p | 6.748286 | .00388831 |
| 3 | 3p | .865121 | -.37276590 |
| 4 | 2p | .257674 | .78233337 |
| 5 | 3p | 10.863225 | -.00076889 |
| 6 | 2p | 3.355356 | .09233878 |
| 7 | 3p | 4.416652 | -.04672451 |
| 8 | 4p | .648286 | -.62814881 |
| ORB.ENERGY,a.u. | -.050323 | ||
| NORM | .999998 | < R > | 14.004046 | < R2 > | 223.657308 | < 1/R > | .096437 | < 1/R**2 > | .025359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.843068 | .37022558 |
| 2 | 3p | 4.433464 | .48211874 |
| 3 | 4p | 3.107648 | .16766969 |
| 4 | 5p | 4.346752 | .06809531 |
| 5 | 2p | 12.864225 | .00530236 |
| 6 | 3p | 2.042979 | .07226315 |
| 7 | 5p | 26.347348 | -.00013762 |
| 8 | 4p | 1.783330 | -.00225741 |
| 9 | 2p | 133.113705 | -.00000009 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796405 | < R2 > | .816298 | < 1/R > | 1.698983 | < 1/R**2 > | 4.196588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.118770 | .31155162 |
| 2 | 2s | 4.295142 | -.73514729 |
| 3 | 3s | 3.378058 | -.37873770 |
| 4 | 4s | 13.320430 | .00762116 |
| 5 | 3s | 13.887908 | .00757575 |
| 6 | 4s | 2.770647 | -.02918250 |
| 7 | 5s | 42.296473 | -.00006215 |
| 8 | 2s | 13.710265 | .00024196 |
| 9 | 3s | 35.201466 | -.00009736 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779193 | < R2 > | .731601 | < 1/R > | 1.866813 | < 1/R**2 > | 14.444671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608156 | 1.01719319 |
| 2 | 2s | 14.003984 | -.03248664 |
| 3 | 3s | 8.617605 | .02561052 |
| 4 | 4s | 56.511924 | -.00002528 |
| 5 | 4s | 20.827438 | .00312032 |
| 6 | 5s | 10.607850 | -.00608918 |
| 7 | 4s | 4.645180 | .00070605 |
| 8 | 3s | 85.010374 | -.00000308 |
| 9 | 5s | 2.104622 | .00000871 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142861 | < R2 > | .027482 | < 1/R > | 10.607291 | < 1/R**2 > | 227.531134 |
Total Energy= -161.72728415 a.u.
Kinetic Energy= 161.72728600 a.u.
Potential Energy= -323.45457014 a.u.
Virial Ratio = -1.99999999