(1s 2 2s 2 2p 4 3p 1 ) 4 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3.381308 | .22847987 |
| 2 | 3p | 1.225923 | -.81608101 |
| 3 | 4p | 1.869734 | -.23674549 |
| 4 | 2p | 6.577818 | .05760073 |
| 5 | 5p | 9.186092 | .00580177 |
| 6 | 5p | 23.853524 | -.00050460 |
| 7 | 5p | 1.222199 | .02354969 |
| 8 | 4p | 35.553127 | -.00010449 |
| ORB.ENERGY,a.u. | -.749950 | ||
| NORM | 1.000000 | < R > | 2.747604 | < R2 > | 8.633055 | < 1/R > | .475910 | < 1/R**2 > | .494503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.975748 | 1.33763332 |
| 2 | 3p | 3.475358 | -.45735110 |
| 3 | 2p | 7.703507 | .10888319 |
| 4 | 4p | 8.409756 | .03014127 |
| 5 | 5p | 3.125583 | -.00163355 |
| 6 | 4p | 2.693241 | -.01227609 |
| 7 | 5p | 2.109509 | .00394525 |
| 8 | 5p | 14.247199 | .00199692 |
| ORB.ENERGY,a.u. | -3.093900 | ||
| NORM | 1.000000 | < R > | .691656 | < R2 > | .596899 | < 1/R > | 1.891918 | < 1/R**2 > | 5.035683 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.076943 | .33407184 |
| 2 | 2s | 4.228841 | -.82903021 |
| 3 | 3s | 3.555839 | -.29480548 |
| 4 | 4s | 13.812063 | .01114790 |
| 5 | 3s | 15.658523 | .00448717 |
| 6 | 5s | 27.316740 | .00044013 |
| 7 | 5s | 2.643467 | -.00216573 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .729352 | < R2 > | .632538 | < 1/R > | 1.987961 | < 1/R**2 > | 16.232558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.242894 | .91124946 |
| 2 | 1s | 15.434237 | .08736490 |
| 3 | 2s | 5.649277 | .01843098 |
| 4 | 3s | 7.071019 | -.01936772 |
| 5 | 4s | 9.010486 | .00958840 |
| 6 | 5s | 26.035399 | .00111132 |
| 7 | 4s | 61.074095 | -.00005517 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142653 | < R2 > | .027379 | < 1/R > | 10.616256 | < 1/R**2 > | 227.819281 |
Total Energy= -158.16345624 a.u.
Kinetic Energy= 158.17359625 a.u.
Potential Energy= -316.33705249 a.u.
Virial Ratio = -1.99993589