(1s 2 2s 2 2p 5 5p 1 ) 3 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 3.081515 | .07040332 |
| 2 | 3p | .994095 | -.55239341 |
| 3 | 4p | .518033 | 2.74562940 |
| 4 | 5p | .492698 | -2.93109044 |
| 5 | 2p | 6.410352 | .02005208 |
| 6 | 5p | 8.960510 | .00276020 |
| 7 | 4p | 21.390901 | -.00016381 |
| 8 | 4p | .218765 | -.02618454 |
| 9 | 5p | .194564 | .02387478 |
| 10 | 3p | 35.239887 | -.00001130 |
| 11 | 3p | .128196 | -.01409583 |
| ORB.ENERGY,a.u. | -.108650 | ||
| NORM | 1.000005 | < R > | 13.382300 | < R2 > | 201.608980 | < 1/R > | .105880 | < 1/R**2 > | .045996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.887952 | 1.37515132 |
| 2 | 3p | 3.509001 | -.48045809 |
| 3 | 2p | 7.714713 | .09967013 |
| 4 | 4p | 8.785613 | .02379115 |
| 5 | 4p | 1.700898 | .00744955 |
| 6 | 5p | 1.565414 | -.00262747 |
| 7 | 3p | .413877 | -.00222687 |
| 8 | 4p | 21.380832 | -.00030614 |
| 9 | 4p | .377743 | .00271329 |
| ORB.ENERGY,a.u. | -2.454800 | ||
| NORM | 1.000000 | < R > | .738928 | < R2 > | .690164 | < 1/R > | 1.796460 | < 1/R**2 > | 4.608066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.123556 | .32125314 |
| 2 | 2s | 4.171031 | -.81096486 |
| 3 | 3s | 3.318067 | -.31986108 |
| 4 | 4s | 14.666669 | .01132871 |
| 5 | 3s | 18.506977 | .00223464 |
| 6 | 5s | 29.496126 | .00034852 |
| 7 | 5s | 2.338817 | -.00558068 |
| 8 | 4s | 2.666321 | .00809137 |
| 9 | 3s | 1.483292 | .00254022 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753075 | < R2 > | .678148 | < 1/R > | 1.926860 | < 1/R**2 > | 15.313819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336755 |
| 2 | 1s | 15.492227 | .08642723 |
| 3 | 2s | 5.346219 | .01504186 |
| 4 | 3s | 7.013857 | -.01793947 |
| 5 | 4s | 9.111800 | .01105599 |
| 6 | 5s | 25.875868 | .00104744 |
| 7 | 4s | 58.437015 | -.00005874 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142773 | < R2 > | .027438 | < 1/R > | 10.611032 | < 1/R**2 > | 227.650850 |
Total Energy= -160.10303351 a.u.
Kinetic Energy= 160.10605956 a.u.
Potential Energy= -320.20909307 a.u.
Virial Ratio = -1.99998110