(1s 2 2s 2 2p 2 3p 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 1.814881 | 1.13423691 |
| 2 | 3p | 1.911656 | -1.82474789 |
| 3 | 2p | 7.041892 | .05436411 |
| 4 | 4p | 3.036745 | -.13064714 |
| 5 | 5p | 11.975203 | .00292427 |
| 6 | 4p | 4.500371 | -.04125604 |
| 7 | 5p | 1.828637 | -.01516217 |
| 8 | 4p | 27.398203 | -.00008855 |
| ORB.ENERGY,a.u. | -1.684200 | ||
| NORM | 1.000000 | < R > | 2.099702 | < R2 > | 4.933698 | < 1/R > | .582877 | < 1/R**2 > | .607012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.023124 | 1.37017798 |
| 2 | 3p | 5.335083 | -.43996016 |
| 3 | 4p | 6.688401 | .08655517 |
| 4 | 5p | 2.635124 | .00807779 |
| 5 | 4p | 2.116236 | -.05947843 |
| 6 | 5p | 20.843528 | -.00068551 |
| 7 | 3p | 14.042948 | -.00305837 |
| 8 | 3p | 3.644732 | -.00499803 |
| 9 | 4p | 62.571660 | .00001052 |
| ORB.ENERGY,a.u. | -5.597000 | ||
| NORM | 1.000000 | < R > | .597819 | < R2 > | .434272 | < 1/R > | 2.121964 | < 1/R**2 > | 6.142323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.987975 | .36320958 |
| 2 | 2s | 4.419189 | -.83175958 |
| 3 | 3s | 4.388826 | -.27206561 |
| 4 | 4s | 17.723643 | .00276653 |
| 5 | 3s | 10.761495 | .01844290 |
| 6 | 5s | 4.319239 | -.03253321 |
| 7 | 4s | 2.360491 | -.00087124 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .682172 | < R2 > | .548114 | < 1/R > | 2.127674 | < 1/R**2 > | 18.435175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124420 | .89360606 |
| 2 | 1s | 15.371821 | .10682254 |
| 3 | 2s | 9.440404 | .01815391 |
| 4 | 3s | 11.644437 | -.01498299 |
| 5 | 5s | 26.479481 | .00128081 |
| 6 | 4s | 65.258643 | -.00003757 |
| 7 | 5s | 8.908838 | .00098277 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142227 | < R2 > | .027174 | < 1/R > | 10.635684 | < 1/R**2 > | 228.455250 |
Total Energy= -150.50064229 a.u.
Kinetic Energy= 150.45434196 a.u.
Potential Energy= -300.95498426 a.u.
Virial Ratio = -2.00030774