(1s 2 2s 1 3p 1 ) 1 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 2p | 3.394290 | .91551137 |
| 2 | 3p | 2.682842 | -1.53229383 |
| 3 | 2p | 8.734656 | .03509129 |
| 4 | 4p | 10.835295 | .01014489 |
| 5 | 5p | 55.107296 | .00002134 |
| 6 | 5p | 2.656284 | .01457444 |
| ORB.ENERGY,a.u. | -3.736100 | ||
| NORM | 1.000000 | < R > | 1.484298 | < R2 > | 2.538902 | < 1/R > | .942229 | < 1/R**2 > | 1.850810 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.120916 | .39626218 |
| 2 | 2s | 4.636728 | -.76845647 |
| 3 | 3s | 5.235219 | -.31338362 |
| 4 | 5s | 8.958953 | -.03795999 |
| 5 | 4s | 19.173884 | .01019099 |
| 6 | 5s | 25.155337 | -.00280654 |
| 7 | 4s | 3.125190 | .00119948 |
| 8 | 3s | 43.999565 | .00009509 |
| ORB.ENERGY,a.u. | -10.185000 | ||
| NORM | 1.000000 | < R > | .619743 | < R2 > | .447668 | < 1/R > | 2.361412 | < 1/R**2 > | 22.518833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.446634 | .94457019 |
| 2 | 1s | 17.370802 | .04744024 |
| 3 | 2s | 12.707273 | .01229412 |
| 4 | 3s | 6.428396 | .00166850 |
| 5 | 4s | 41.173529 | -.00082066 |
| 6 | 5s | 54.134774 | .00031731 |
| 7 | 5s | 13.325947 | .00147941 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141553 | < R2 > | .026868 | < 1/R > | 10.669428 | < 1/R**2 > | 229.603288 |
Total Energy= -128.99889177 a.u.
Kinetic Energy= 128.96705568 a.u.
Potential Energy= -257.96594745 a.u.
Virial Ratio = -2.00024685