(1s 2 2s 2 2p 2 5s 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 8.985791 | .06126484 |
| 2 | 2s | 3.129042 | -.33335206 |
| 3 | 3s | 1.534815 | 1.96388028 |
| 4 | 4s | 1.292350 | -4.01076330 |
| 5 | 5s | 1.109529 | 2.89650729 |
| 6 | 5s | 10.551040 | -.00728333 |
| 7 | 4s | 28.675983 | .00029342 |
| 8 | 5s | 42.507446 | -.00010202 |
| ORB.ENERGY,a.u. | -.613940 | ||
| NORM | .999997 | < R > | 6.130454 | < R2 > | 42.053812 | < 1/R > | .233527 | < 1/R**2 > | .545151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.870621 | 1.23060586 |
| 2 | 3p | 4.726862 | -.25224155 |
| 3 | 2p | 11.185581 | .01794811 |
| 4 | 4p | 13.072522 | .00693081 |
| 5 | 5p | 18.777639 | -.00168324 |
| 6 | 5p | 3.528765 | .00182884 |
| 7 | 4p | 51.170505 | .00003147 |
| ORB.ENERGY,a.u. | -6.101000 | ||
| NORM | 1.000000 | < R > | .612708 | < R2 > | .458907 | < 1/R > | 2.088041 | < 1/R**2 > | 5.988422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.793000 | .37669256 |
| 2 | 2s | 4.528446 | -.86100019 |
| 3 | 3s | 4.061624 | -.28453823 |
| 4 | 4s | 18.152611 | .00261663 |
| 5 | 3s | 10.171925 | .02750499 |
| 6 | 5s | 6.368062 | -.00869039 |
| 7 | 4s | 1.291119 | .02679566 |
| 8 | 3s | .963381 | -.02723697 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679754 | < R2 > | .544041 | < 1/R > | 2.135219 | < 1/R**2 > | 18.556480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.122515 | .89442087 |
| 2 | 1s | 15.258994 | .10781258 |
| 3 | 2s | 8.193282 | .01816864 |
| 4 | 3s | 10.869965 | -.01651466 |
| 5 | 5s | 26.435291 | .00120561 |
| 6 | 4s | 62.969013 | -.00004228 |
| 7 | 5s | 4.137918 | .00021273 |
| 8 | 3s | .562414 | -.00172054 |
| 9 | 4s | .694288 | .00184125 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142182 | < R2 > | .027155 | < 1/R > | 10.637873 | < 1/R**2 > | 228.527899 |
Total Energy= -149.38146938 a.u.
Kinetic Energy= 149.38410149 a.u.
Potential Energy= -298.76557087 a.u.
Virial Ratio = -1.99998238