(1s 2 2s 2 2p 1 5p 1 ) 3 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 3.656724 | .24442795 |
| 2 | 3p | 1.514756 | -2.30003413 |
| 3 | 4p | 1.302732 | 6.72054084 |
| 4 | 5p | 1.270756 | -5.15569802 |
| 5 | 2p | 7.929100 | .01728578 |
| 6 | 5p | 12.497834 | .00284897 |
| 7 | 5p | 2.762091 | -.14273946 |
| ORB.ENERGY,a.u. | -.793000 | ||
| NORM | .999997 | < R > | 5.526830 | < R2 > | 34.333658 | < 1/R > | .259874 | < 1/R**2 > | .239490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.153773 | 1.07536421 |
| 2 | 3p | 5.033602 | -.10686965 |
| 3 | 2p | 9.748541 | .02943042 |
| 4 | 5p | 12.080616 | .00586929 |
| 5 | 4p | 23.888204 | -.00044657 |
| 6 | 5p | 4.378561 | .00713321 |
| 7 | 5p | 76.126481 | -.00000812 |
| ORB.ENERGY,a.u. | -7.412900 | ||
| NORM | 1.000000 | < R > | .583436 | < R2 > | .413724 | < 1/R > | 2.177956 | < 1/R**2 > | 6.464188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.718269 | .33587130 |
| 2 | 2s | 3.810199 | -.79567873 |
| 3 | 3s | 5.832090 | -.27456990 |
| 4 | 4s | 20.836971 | .00166682 |
| 5 | 5s | 11.423364 | -.01546919 |
| 6 | 5s | 4.302356 | .02277314 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657478 | < R2 > | .506913 | < 1/R > | 2.211109 | < 1/R**2 > | 19.807969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.215425 | .92210655 |
| 2 | 1s | 16.049604 | .08037949 |
| 3 | 2s | 9.129031 | .01634940 |
| 4 | 3s | 11.686640 | -.01587553 |
| 5 | 4s | 57.984974 | -.00006491 |
| 6 | 5s | 25.331739 | .00123420 |
| 7 | 5s | 7.026099 | .00013075 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141864 | < R2 > | .027004 | < 1/R > | 10.652833 | < 1/R**2 > | 229.023184 |
Total Energy= -143.23306288 a.u.
Kinetic Energy= 143.23910327 a.u.
Potential Energy= -286.47216615 a.u.
Virial Ratio = -1.99995783