(1s 2 2s 2 2p 2 3p 1 ) 2 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3.184029 | .51667523 |
| 2 | 3p | 1.879849 | -1.32362641 |
| 3 | 2p | 9.988637 | .01164825 |
| 4 | 4p | 6.174619 | -.05511951 |
| 5 | 5p | 3.402150 | .08940909 |
| 6 | 5p | 2.297184 | .04256912 |
| 7 | 4p | 21.908732 | -.00020245 |
| ORB.ENERGY,a.u. | -1.711000 | ||
| NORM | 1.000000 | < R > | 2.068364 | < R2 > | 4.799635 | < 1/R > | .598902 | < 1/R**2 > | .659592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.017283 | 1.37194567 |
| 2 | 3p | 5.334518 | -.44170006 |
| 3 | 4p | 6.714278 | .08726066 |
| 4 | 5p | 2.762368 | .01093633 |
| 5 | 4p | 2.160455 | -.05823477 |
| 6 | 5p | 20.329746 | -.00077116 |
| 7 | 3p | 14.456632 | -.00281541 |
| 8 | 3p | 4.429818 | -.00585256 |
| 9 | 4p | 55.980580 | .00001493 |
| ORB.ENERGY,a.u. | -5.623800 | ||
| NORM | 1.000000 | < R > | .599286 | < R2 > | .436012 | < 1/R > | 2.117633 | < 1/R**2 > | 6.121042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.986842 | .36322993 |
| 2 | 2s | 4.419845 | -.83180118 |
| 3 | 3s | 4.388361 | -.27197208 |
| 4 | 4s | 17.735853 | .00276029 |
| 5 | 3s | 10.750410 | .01853515 |
| 6 | 5s | 4.316603 | -.03285621 |
| 7 | 4s | 2.357027 | -.00086406 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .682279 | < R2 > | .548315 | < 1/R > | 2.127381 | < 1/R**2 > | 18.430596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124311 | .89354883 |
| 2 | 1s | 15.370079 | .10687880 |
| 3 | 2s | 9.436758 | .01815696 |
| 4 | 3s | 11.638245 | -.01498678 |
| 5 | 5s | 26.471213 | .00127921 |
| 6 | 4s | 65.208023 | -.00003777 |
| 7 | 5s | 8.928104 | .00098512 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142227 | < R2 > | .027174 | < 1/R > | 10.635679 | < 1/R**2 > | 228.455108 |
Total Energy= -150.50476970 a.u.
Kinetic Energy= 150.48113489 a.u.
Potential Energy= -300.98590459 a.u.
Virial Ratio = -2.00015706