(1s 2 2s 1 3p 1 ) 3 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.398273 | .91296532 |
| 2 | 3p | 2.728321 | -1.53356892 |
| 3 | 2p | 8.380030 | .03855923 |
| 4 | 4p | 8.852961 | .01998583 |
| 5 | 3p | 42.244146 | .00006143 |
| 6 | 5p | 2.141621 | .00103516 |
| 7 | 4p | 68.036404 | -.00002199 |
| ORB.ENERGY,a.u. | -3.779200 | ||
| NORM | 1.000000 | < R > | 1.468807 | < R2 > | 2.484876 | < 1/R > | .948372 | < 1/R**2 > | 1.859856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.363857 | .38014749 |
| 2 | 2s | 4.364959 | -.77577114 |
| 3 | 3s | 5.679756 | -.29240842 |
| 4 | 5s | 9.569752 | -.02992800 |
| 5 | 4s | 19.537507 | .00713322 |
| 6 | 5s | 25.877042 | -.00169954 |
| 7 | 4s | 3.075978 | -.00137367 |
| 8 | 3s | 43.287143 | .00006185 |
| ORB.ENERGY,a.u. | -10.228000 | ||
| NORM | 1.000000 | < R > | .621785 | < R2 > | .451566 | < 1/R > | 2.356098 | < 1/R**2 > | 22.429419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.449756 | .94242101 |
| 2 | 1s | 17.079097 | .04956830 |
| 3 | 2s | 12.148863 | .01221573 |
| 4 | 3s | 8.061870 | .00239767 |
| 5 | 4s | 43.864898 | -.00062416 |
| 6 | 5s | 58.529291 | .00022878 |
| 7 | 5s | 14.613743 | .00024845 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141499 | < R2 > | .026840 | < 1/R > | 10.671573 | < 1/R**2 > | 229.671245 |
Total Energy= -128.99915990 a.u.
Kinetic Energy= 129.01009784 a.u.
Potential Energy= -258.00925774 a.u.
Virial Ratio = -1.99991522