(1s 2 2s 2 2p 6 3s 2 3p 1 ) 2 P S 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 4.640467 | .32360772 |
| 2 | 2p | 1.498305 | -.49283430 |
| 3 | 3p | 2.228848 | -.62809011 |
| 4 | 2p | 9.027571 | .09081770 |
| 5 | 3p | 14.674494 | -.00312756 |
| 6 | 4p | 1.561304 | .03684324 |
| 7 | 4p | 31.974091 | -.00011692 |
| ORB.ENERGY,a.u. | -1.707600 | ||
| NORM | 1.000000 | < R > | 1.674735 | < R2 > | 3.229148 | < 1/R > | .794459 | < 1/R**2 > | 1.392194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.404294 | -.56749096 |
| 2 | 1s | 11.227109 | .20142662 |
| 3 | 1s | 27.555938 | .00133715 |
| 4 | 2s | 6.235854 | -.09438725 |
| 5 | 3s | 2.510478 | 1.09293852 |
| 6 | 4s | 4.401399 | .16582479 |
| 7 | 5s | 67.209773 | -.00005454 |
| 8 | 5s | 2.372448 | .08449844 |
| ORB.ENERGY,a.u. | -2.301000 | ||
| NORM | 1.000000 | < R > | 1.539921 | < R2 > | 2.703330 | < 1/R > | .878569 | < 1/R**2 > | 4.472263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.793310 | .45558750 |
| 2 | 3p | 6.908645 | .48384181 |
| 3 | 5p | 5.493349 | .02874198 |
| 4 | 4p | 5.936073 | .12904745 |
| 5 | 2p | 17.577647 | .00537119 |
| 6 | 5p | 36.101771 | -.00039337 |
| 7 | 4p | 52.021793 | -.00006561 |
| 8 | 3p | 3.167714 | .00810081 |
| 9 | 5p | 2.172716 | .00013140 |
| ORB.ENERGY,a.u. | -8.184600 | ||
| NORM | 1.000000 | < R > | .439982 | < R2 > | .240711 | < 1/R > | 2.959644 | < 1/R**2 > | 12.239434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.094837 | .36374928 |
| 2 | 2s | 6.230302 | -.76350805 |
| 3 | 3s | 5.237644 | -.16312472 |
| 4 | 4s | 22.027823 | .00783487 |
| 5 | 2s | 5.623130 | -.19459084 |
| 6 | 3s | 33.930407 | .00160734 |
| 7 | 4s | 2.777534 | -.00072901 |
| 8 | 5s | 37.390226 | .00087836 |
| 9 | 2s | 65.419865 | .00005345 |
| 10 | 5s | 2.420777 | .00013099 |
| ORB.ENERGY,a.u. | -10.436000 | ||
| NORM | 1.000000 | < R > | .474332 | < R2 > | .266674 | < 1/R > | 3.081875 | < 1/R**2 > | 39.099843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 74.018514 | .00020077 |
| 2 | 5s | 6.897388 | -.00171974 |
| 3 | 2s | 26.044397 | -.00350785 |
| 4 | 3s | 114.404135 | -.00001467 |
| 5 | 1s | 15.584069 | 1.01165452 |
| 6 | 2s | 19.865516 | -.01856659 |
| 7 | 3s | 14.003145 | .01701301 |
| 8 | 4s | 59.083096 | -.00056934 |
| 9 | 4s | 6.294998 | .00238044 |
| ORB.ENERGY,a.u. | -92.967000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012681 | < 1/R > | 15.568070 | < 1/R**2 > | 488.884740 |
Total Energy= -395.07722442 a.u.
Kinetic Energy= 395.07723467 a.u.
Potential Energy= -790.15445909 a.u.
Virial Ratio = -1.99999997