(1s 2 2s 2 2p 5 3p 1 ) 1 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 2.752855 | .23502926 |
| 2 | 3p | 1.017752 | -.94905661 |
| 3 | 4p | 4.246664 | -.05396085 |
| 4 | 2p | 7.504266 | .02593433 |
| 5 | 5p | 10.807101 | .00237579 |
| 6 | 4p | 11.515481 | .00145318 |
| 7 | 5p | .983213 | -.09879202 |
| ORB.ENERGY,a.u. | -.370480 | ||
| NORM | 1.000000 | < R > | 3.674085 | < R2 > | 15.456829 | < 1/R > | .342059 | < 1/R**2 > | .240614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.917288 | 1.39499203 |
| 2 | 3p | 3.566835 | -.49015208 |
| 3 | 2p | 7.930280 | .08858081 |
| 4 | 4p | 1.573196 | .01509769 |
| 5 | 4p | 9.091775 | .02257006 |
| 6 | 5p | 1.597251 | -.01148472 |
| 7 | 4p | 44.318749 | .00002680 |
| 8 | 3p | 18.983459 | -.00012656 |
| ORB.ENERGY,a.u. | -2.175400 | ||
| NORM | 1.000000 | < R > | .738965 | < R2 > | .689495 | < 1/R > | 1.795807 | < 1/R**2 > | 4.604493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.132121 | .32049152 |
| 2 | 2s | 4.164805 | -.81150822 |
| 3 | 3s | 3.312455 | -.31838780 |
| 4 | 4s | 14.772492 | .01170913 |
| 5 | 3s | 20.349979 | .00183580 |
| 6 | 5s | 27.851062 | .00052501 |
| 7 | 5s | 2.360242 | -.00577205 |
| 8 | 4s | 2.643349 | .00854156 |
| 9 | 3s | 1.345768 | .00150699 |
| 10 | 2s | 76.752126 | .00000251 |
| 11 | 2s | .479017 | -.00016169 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753893 | < R2 > | .679861 | < 1/R > | 1.924997 | < 1/R**2 > | 15.286717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229740 | .91336993 |
| 2 | 1s | 15.492632 | .08642731 |
| 3 | 2s | 5.350191 | .01504706 |
| 4 | 3s | 7.012182 | -.01794353 |
| 5 | 4s | 9.100877 | .01107993 |
| 6 | 5s | 25.767409 | .00103793 |
| 7 | 4s | 58.542000 | -.00006173 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142779 | < R2 > | .027441 | < 1/R > | 10.610765 | < 1/R**2 > | 227.642023 |
Total Energy= -160.36932938 a.u.
Kinetic Energy= 160.36787677 a.u.
Potential Energy= -320.73720614 a.u.
Virial Ratio = -2.00000906