(1s 2 2s 2 2p 1 5p 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.898680 | .25056659 |
| 2 | 3p | 1.517721 | -2.64970821 |
| 3 | 4p | 1.276663 | 7.02330191 |
| 4 | 5p | 1.268646 | -5.61284337 |
| 5 | 2p | 6.761569 | .02220204 |
| 6 | 5p | 1.854644 | .30302158 |
| 7 | 5p | 20.687836 | -.00054539 |
| 8 | 4p | 30.836756 | -.00012017 |
| ORB.ENERGY,a.u. | -.790870 | ||
| NORM | .999996 | < R > | 5.529979 | < R2 > | 34.387691 | < 1/R > | .244597 | < 1/R**2 > | .151084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.444602 | .95012210 |
| 2 | 3p | .894623 | -.28964729 |
| 3 | 5p | 1.691967 | .24300004 |
| 4 | 2p | 10.564221 | .02062236 |
| 5 | 5p | 5.311699 | .06237396 |
| 6 | 4p | 19.450274 | -.00135884 |
| 7 | 4p | .847015 | .04752353 |
| 8 | 3p | 27.501270 | -.00011084 |
| ORB.ENERGY,a.u. | -7.410800 | ||
| NORM | 1.000000 | < R > | .593236 | < R2 > | .519243 | < 1/R > | 2.192762 | < 1/R**2 > | 6.550764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 5s | 11.424291 | -.01546126 |
| 2 | 5s | 4.304159 | .02277830 |
| 3 | 1s | 9.718119 | .33588181 |
| 4 | 2s | 3.810356 | -.79569492 |
| 5 | 3s | 5.831701 | -.27457598 |
| 6 | 4s | 20.835975 | .00166725 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657474 | < R2 > | .506906 | < 1/R > | 2.211126 | < 1/R**2 > | 19.808265 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.215629 | .92213199 |
| 2 | 1s | 16.051071 | .08034188 |
| 3 | 2s | 9.137425 | .01634458 |
| 4 | 3s | 11.696247 | -.01586532 |
| 5 | 4s | 58.195962 | -.00006421 |
| 6 | 5s | 25.329510 | .00124355 |
| 7 | 5s | 7.043095 | .00013294 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141864 | < R2 > | .027004 | < 1/R > | 10.652841 | < 1/R**2 > | 229.023475 |
Total Energy= -143.23651807 a.u.
Kinetic Energy= 143.23697245 a.u.
Potential Energy= -286.47349052 a.u.
Virial Ratio = -1.99999683