(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 2.120413 | -.04897894 |
| 2 | 3p | 1.677029 | -.15408967 |
| 3 | 5p | .851434 | .21132336 |
| 4 | 4p | .489010 | .75184394 |
| 5 | 2p | 4.617405 | .10281413 |
| 6 | 3p | 6.382535 | -.03639058 |
| 7 | 4p | 16.858367 | -.00077314 |
| 8 | 3p | .321668 | .07340198 |
| 9 | 5p | 46.768294 | -.00005082 |
| ORB.ENERGY,a.u. | -.206650 | ||
| NORM | 1.000000 | < R > | 8.699027 | < R2 > | 85.276091 | < 1/R > | .138559 | < 1/R**2 > | .043121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.112200 | .26222240 |
| 2 | 2p | 1.014613 | -.97342095 |
| 3 | 3p | 2.013947 | -.28698951 |
| 4 | 2p | 8.136670 | .08496631 |
| 5 | 4p | 1.215482 | .22951299 |
| 6 | 3p | 12.420344 | -.00434856 |
| 7 | 4p | 29.842284 | -.00014435 |
| 8 | 5p | .503812 | -.00122135 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.132213 | < R2 > | 5.305234 | < 1/R > | .618870 | < 1/R**2 > | .844668 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.385722 | -.17669617 |
| 2 | 1s | 10.691311 | .17072974 |
| 3 | 1s | 39.901562 | .00025805 |
| 4 | 2s | 4.736507 | -.24396398 |
| 5 | 3s | 1.911777 | .84247775 |
| 6 | 4s | 3.418711 | .19270737 |
| 7 | 3s | 29.201964 | -.00055951 |
| 8 | 5s | 1.711889 | .06348798 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.849587 | < R2 > | 3.942995 | < 1/R > | .724358 | < 1/R**2 > | 2.963875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372947 | .42804523 |
| 2 | 3p | 6.500502 | .49505970 |
| 3 | 2p | 20.145804 | .00249424 |
| 4 | 4p | 5.239739 | .18072503 |
| 5 | 5p | 4.028446 | .01289051 |
| 6 | 3p | 38.693159 | .00006397 |
| 7 | 4p | 84.369604 | -.00000233 |
| 8 | 3p | 1.602516 | .00089727 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483384 | < R2 > | .291807 | < 1/R > | 2.706499 | < 1/R**2 > | 10.285802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194209 | .35988132 |
| 2 | 2s | 5.437830 | -.77667490 |
| 3 | 3s | 4.855946 | -.17148176 |
| 4 | 4s | 23.600748 | .00226230 |
| 5 | 2s | 6.760412 | -.17609597 |
| 6 | 3s | 15.372678 | .00817401 |
| 7 | 5s | 4.027469 | -.00310106 |
| 8 | 4s | 1.927369 | -.00024790 |
| 9 | 5s | 47.264716 | .00005740 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515340 | < R2 > | .315473 | < 1/R > | 2.833359 | < 1/R**2 > | 33.092248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.387242 | -.00021295 |
| 2 | 1s | 14.570410 | 1.01425746 |
| 3 | 2s | 21.105330 | -.02188122 |
| 4 | 3s | 11.321512 | .01689845 |
| 5 | 4s | 20.107474 | -.00094978 |
| 6 | 5s | 17.685416 | .00342850 |
| 7 | 5s | 62.520353 | -.00003186 |
| 8 | 4s | 12.074792 | -.00660195 |
| 9 | 2s | 54.222962 | .00013068 |
| 10 | 3s | 7.510279 | .00141275 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573847 | < 1/R**2 > | 428.619634 |
Total Energy= -340.42975542 a.u.
Kinetic Energy= 340.42944257 a.u.
Potential Energy= -680.85919800 a.u.
Virial Ratio = -2.00000092