(1s 2 2s 2 2p 2 5d 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | 1.260103 | 1.60322542 |
| 2 | 4d | 1.112970 | -4.08743482 |
| 3 | 5d | .996533 | 3.13083688 |
| 4 | 3d | 3.174661 | .05931324 |
| 5 | 5d | 4.994179 | -.01487787 |
| 6 | 4d | 13.576044 | .00033484 |
| 7 | 5d | .687455 | -.00664471 |
| 8 | 5d | 37.741230 | .00002252 |
| 9 | 3d | 41.222715 | .00000430 |
| ORB.ENERGY,a.u. | -.514050 | ||
| NORM | 1.000001 | < R > | 6.685083 | < R2 > | 50.800852 | < 1/R > | .210108 | < 1/R**2 > | .093655 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.850774 | 1.23950379 |
| 2 | 3p | 4.707779 | -.26036151 |
| 3 | 2p | 10.646716 | .02088736 |
| 4 | 4p | 11.407959 | .00511373 |
| 5 | 5p | 23.497316 | -.00034452 |
| 6 | 5p | 2.895083 | .01556442 |
| 7 | 4p | 2.581246 | -.01748980 |
| ORB.ENERGY,a.u. | -6.092400 | ||
| NORM | 1.000000 | < R > | .612595 | < R2 > | .458758 | < 1/R > | 2.088472 | < 1/R**2 > | 5.990996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.007554 | .36333644 |
| 2 | 2s | 4.422102 | -.82557879 |
| 3 | 3s | 4.503019 | -.26828481 |
| 4 | 4s | 17.499453 | .00284213 |
| 5 | 3s | 10.938115 | .01736445 |
| 6 | 5s | 4.492542 | -.04164441 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679663 | < R2 > | .543671 | < 1/R > | 2.135374 | < 1/R**2 > | 18.558332 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126641 | .89441290 |
| 2 | 1s | 15.409884 | .10594878 |
| 3 | 2s | 9.683354 | .01798396 |
| 4 | 3s | 11.813412 | -.01486909 |
| 5 | 5s | 26.559504 | .00135764 |
| 6 | 4s | 68.180056 | -.00003314 |
| 7 | 5s | 8.580108 | .00097489 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027153 | < 1/R > | 10.637915 | < 1/R**2 > | 228.529961 |
Total Energy= -149.28730577 a.u.
Kinetic Energy= 149.28463626 a.u.
Potential Energy= -298.57194203 a.u.
Virial Ratio = -2.00001788