(1s 2 2s 2 2p 1 4p 1 ) 1 S Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 4.650957 | .15194126 |
| 2 | 3p | 1.617271 | -.94546141 |
| 3 | 5p | 1.797343 | 1.29065469 |
| 4 | 4p | 2.608930 | -.35452632 |
| 5 | 5p | 5.555341 | .05394880 |
| 6 | 4p | 12.074592 | -.00328900 |
| 7 | 5p | 1.564587 | .43254462 |
| 8 | 5p | 27.924125 | -.00044094 |
| 9 | 4p | 43.463893 | -.00007953 |
| ORB.ENERGY,a.u. | -1.237800 | ||
| NORM | 1.000001 | < R > | 3.472280 | < R2 > | 13.576975 | < 1/R > | .366194 | < 1/R**2 > | .248864 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.193447 | 1.02330813 |
| 2 | 3p | 1.553897 | -.19083231 |
| 3 | 2p | 10.005966 | .03473555 |
| 4 | 5p | 7.401764 | -.02491230 |
| 5 | 5p | 1.901352 | .11755844 |
| 6 | 4p | 12.109153 | .00374481 |
| 7 | 4p | 1.413347 | .13913841 |
| 8 | 5p | 24.922203 | -.00032936 |
| 9 | 3p | 1.049068 | -.02167127 |
| ORB.ENERGY,a.u. | -7.245400 | ||
| NORM | 1.000000 | < R > | .589012 | < R2 > | .502231 | < 1/R > | 2.220009 | < 1/R**2 > | 6.698992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.714010 | .33575706 |
| 2 | 2s | 3.817346 | -.79345204 |
| 3 | 3s | 5.821482 | -.27570053 |
| 4 | 4s | 20.635763 | .00177917 |
| 5 | 5s | 11.428291 | -.01478860 |
| 6 | 5s | 4.312841 | .01980271 |
| 7 | 4s | 1.733386 | .00035333 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658128 | < R2 > | .507996 | < 1/R > | 2.208911 | < 1/R**2 > | 19.771717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213156 | .92173263 |
| 2 | 1s | 16.003932 | .08104235 |
| 3 | 2s | 8.738425 | .01669015 |
| 4 | 3s | 11.355054 | -.01627336 |
| 5 | 4s | 54.186611 | -.00008572 |
| 6 | 5s | 25.200547 | .00101762 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141877 | < R2 > | .027010 | < 1/R > | 10.652191 | < 1/R**2 > | 229.001600 |
Total Energy= -143.71367144 a.u.
Kinetic Energy= 143.68370070 a.u.
Potential Energy= -287.39737215 a.u.
Virial Ratio = -2.00020859