(1s 2 2s 2 2p 4 4s 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 10.238647 | .05017720 |
| 2 | 2s | 1.479219 | -.97068473 |
| 3 | 3s | 1.611713 | 1.99512996 |
| 4 | 4s | .938673 | -1.44837995 |
| 5 | 5s | 2.363034 | -.27718834 |
| 6 | 4s | 7.576539 | -.04705139 |
| 7 | 5s | 14.039024 | -.00901353 |
| 8 | 5s | .905458 | .13196356 |
| 9 | 4s | 18.974374 | -.00299741 |
| 10 | 5s | 47.697039 | -.00003291 |
| 11 | 2s | 45.353582 | .00003076 |
| ORB.ENERGY,a.u. | -.440570 | ||
| NORM | .999999 | < R > | 5.150138 | < R2 > | 29.843044 | < 1/R > | .268315 | < 1/R**2 > | .563938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.190030 | 1.36711566 |
| 2 | 3p | 3.860587 | -.43526353 |
| 3 | 2p | 8.714960 | .06062595 |
| 4 | 4p | 9.928915 | .01948656 |
| 5 | 5p | 24.908548 | .00029629 |
| 6 | 5p | 2.261239 | .01986174 |
| 7 | 4p | 40.436500 | .00007751 |
| 8 | 4p | 1.938782 | -.02071098 |
| ORB.ENERGY,a.u. | -3.301100 | ||
| NORM | 1.000000 | < R > | .690126 | < R2 > | .593457 | < 1/R > | 1.894484 | < 1/R**2 > | 5.046564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.993714 | .28957344 |
| 2 | 2s | 3.368372 | -.76580403 |
| 3 | 3s | 6.059795 | -.24031767 |
| 4 | 4s | 4.686242 | -.04075268 |
| 5 | 5s | 12.502130 | -.01238669 |
| 6 | 4s | .967953 | .00595178 |
| 7 | 3s | 1.690639 | -.00641930 |
| 8 | 3s | 35.444756 | -.00004674 |
| 9 | 4s | 28.112845 | .00015886 |
| 10 | 5s | 46.410324 | -.00004387 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728483 | < R2 > | .631287 | < 1/R > | 1.990616 | < 1/R**2 > | 16.274163 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.242414 | .91144530 |
| 2 | 1s | 15.424956 | .08741563 |
| 3 | 2s | 5.229720 | .01979898 |
| 4 | 3s | 6.585120 | -.02129648 |
| 5 | 4s | 8.618367 | .00970513 |
| 6 | 5s | 26.240032 | .00109726 |
| 7 | 4s | 60.450412 | -.00004916 |
| 8 | 5s | .813040 | -.00019120 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142634 | < R2 > | .027372 | < 1/R > | 10.617144 | < 1/R**2 > | 227.848224 |
Total Energy= -157.86050685 a.u.
Kinetic Energy= 157.86394337 a.u.
Potential Energy= -315.72445022 a.u.
Virial Ratio = -1.99997823