(1s 2 2s 2 2p 5 4p 1 ) 3 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4.183985 | .13624605 |
| 2 | 3p | .482194 | 1.84134175 |
| 3 | 4p | 1.274060 | -.41819201 |
| 4 | 3p | .758098 | -.73705655 |
| 5 | 4p | .549507 | .47115059 |
| 6 | 5p | 2.453697 | -.08883105 |
| 7 | 3p | 6.003646 | -.02515397 |
| 8 | 5p | .557216 | -.71179107 |
| 9 | 4p | 16.105690 | -.00064461 |
| 10 | 3p | 21.841313 | -.00009687 |
| ORB.ENERGY,a.u. | -.185780 | ||
| NORM | .999999 | < R > | 7.671434 | < R2 > | 66.739785 | < 1/R > | .179974 | < 1/R**2 > | .103334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.887179 | 1.37426407 |
| 2 | 3p | 3.507138 | -.48011343 |
| 3 | 2p | 7.721707 | .09950908 |
| 4 | 4p | 8.790184 | .02406011 |
| 5 | 4p | 1.728895 | .00934173 |
| 6 | 5p | 1.731661 | -.00294766 |
| 7 | 3p | .479078 | -.00232438 |
| 8 | 5p | 39.238947 | .00001946 |
| 9 | 4p | 22.595979 | -.00028276 |
| ORB.ENERGY,a.u. | -2.379700 | ||
| NORM | 1.000000 | < R > | .739532 | < R2 > | .691531 | < 1/R > | 1.795570 | < 1/R**2 > | 4.604470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.123256 | .32120030 |
| 2 | 2s | 4.170152 | -.81129555 |
| 3 | 3s | 3.314699 | -.31987938 |
| 4 | 4s | 14.604578 | .01119084 |
| 5 | 3s | 18.055731 | .00242225 |
| 6 | 5s | 29.533136 | .00032774 |
| 7 | 5s | 2.337152 | -.00671878 |
| 8 | 4s | 2.640492 | .00857199 |
| 9 | 3s | 1.500341 | .00331772 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753273 | < R2 > | .678572 | < 1/R > | 1.926433 | < 1/R**2 > | 15.307731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229865 | .91337207 |
| 2 | 1s | 15.493172 | .08642343 |
| 3 | 2s | 5.347795 | .01503942 |
| 4 | 3s | 7.014419 | -.01793764 |
| 5 | 4s | 9.110187 | .01105950 |
| 6 | 5s | 25.884353 | .00104590 |
| 7 | 4s | 58.383918 | -.00005799 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142774 | < R2 > | .027439 | < 1/R > | 10.610975 | < 1/R**2 > | 227.648963 |
Total Energy= -160.17614677 a.u.
Kinetic Energy= 160.18317208 a.u.
Potential Energy= -320.35931885 a.u.
Virial Ratio = -1.99995614