(1s 2 2s 2 2p 6 5s 1 ) 2 S Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 9.553316 | .01324057 |
| 2 | 2s | 3.363206 | -.04828998 |
| 3 | 3s | .833574 | .42731673 |
| 4 | 4s | .430876 | -1.03501138 |
| 5 | 5s | .292077 | 1.36972671 |
| 6 | 5s | 1.209695 | -.08322231 |
| 7 | 4s | 8.948869 | -.00311255 |
| ORB.ENERGY,a.u. | -.037059 | ||
| NORM | 1.000005 | < R > | 20.291077 | < R2 > | 463.270843 | < 1/R > | .068061 | < 1/R**2 > | .037030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.842885 | .37024417 |
| 2 | 3p | 4.433500 | .48212551 |
| 3 | 4p | 3.110988 | .16757207 |
| 4 | 5p | 4.343499 | .06809683 |
| 5 | 2p | 12.868334 | .00530077 |
| 6 | 3p | 2.035643 | .07241586 |
| 7 | 5p | 26.399138 | -.00013456 |
| 8 | 4p | 1.710842 | -.00234718 |
| 9 | 2p | 123.150785 | -.00000011 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796431 | < R2 > | .816380 | < 1/R > | 1.698970 | < 1/R**2 > | 4.196572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.119300 | .31155570 |
| 2 | 2s | 4.295335 | -.73514415 |
| 3 | 3s | 3.378559 | -.37871004 |
| 4 | 4s | 13.343070 | .00763638 |
| 5 | 3s | 13.882295 | .00757745 |
| 6 | 4s | 2.772176 | -.02917312 |
| 7 | 5s | 42.764782 | -.00005625 |
| 8 | 2s | 14.186776 | .00023352 |
| 9 | 3s | 35.100449 | -.00009609 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779112 | < R2 > | .731430 | < 1/R > | 1.866999 | < 1/R**2 > | 14.447366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608174 | 1.01719240 |
| 2 | 2s | 14.003628 | -.03248578 |
| 3 | 3s | 8.618221 | .02560840 |
| 4 | 4s | 56.462352 | -.00002557 |
| 5 | 4s | 20.828328 | .00312032 |
| 6 | 5s | 10.608603 | -.00608860 |
| 7 | 4s | 4.645176 | .00070632 |
| 8 | 3s | 85.438596 | -.00000311 |
| 9 | 5s | 2.095837 | .00000932 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142860 | < R2 > | .027482 | < 1/R > | 10.607315 | < 1/R**2 > | 227.531888 |
Total Energy= -161.71400261 a.u.
Kinetic Energy= 161.71400112 a.u.
Potential Energy= -323.42800373 a.u.
Virial Ratio = -2.00000001