(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 3.815015 | .11611420 |
| 2 | 3p | 1.648313 | -.75378512 |
| 3 | 4p | 1.051568 | 2.49605236 |
| 4 | 5p | .922157 | -2.47138696 |
| 5 | 3p | 15.147310 | -.00098730 |
| 6 | 2p | 8.309686 | .03934087 |
| 7 | 4p | 4.481219 | -.04243379 |
| ORB.ENERGY,a.u. | -.410180 | ||
| NORM | .999998 | < R > | 7.077742 | < R2 > | 56.485311 | < 1/R > | .203514 | < 1/R**2 > | .167133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.379383 | -.07676475 |
| 2 | 1s | 11.268676 | .00867146 |
| 3 | 1s | 12.192224 | .11751997 |
| 4 | 2s | 5.122120 | -.39572319 |
| 5 | 3s | 2.185400 | .81349313 |
| 6 | 4s | 3.076651 | .32082355 |
| 7 | 5s | 15.271500 | -.00583792 |
| 8 | 4s | 30.141099 | .00031002 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.625592 | < R2 > | 2.996398 | < 1/R > | .832645 | < 1/R**2 > | 4.041614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.132062 | .45648611 |
| 2 | 3p | 6.265591 | .49829821 |
| 3 | 4p | 5.014434 | .15177669 |
| 4 | 5p | 3.377476 | .00602136 |
| 5 | 2p | 17.820035 | .00428746 |
| 6 | 5p | 35.960259 | -.00014875 |
| 7 | 3p | 2.462772 | -.00521591 |
| 8 | 3p | 82.870092 | .00000222 |
| 9 | 4p | .569666 | .00009481 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480586 | < R2 > | .287755 | < 1/R > | 2.717522 | < 1/R**2 > | 10.356367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.218077 | .35953516 |
| 2 | 2s | 6.044914 | -.82197337 |
| 3 | 3s | 5.184929 | -.29975477 |
| 4 | 4s | 20.724891 | .00300400 |
| 5 | 3s | 16.917698 | .00619564 |
| 6 | 2s | 2.965129 | -.01354319 |
| 7 | 5s | 40.131480 | .00020848 |
| 8 | 4s | 1.647407 | -.00015234 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514221 | < R2 > | .313920 | < 1/R > | 2.839049 | < 1/R**2 > | 33.212817 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570362 | 1.01434394 |
| 2 | 2s | 20.440716 | -.02221499 |
| 3 | 3s | 10.618786 | .01922773 |
| 4 | 4s | 58.143995 | -.00049772 |
| 5 | 4s | 10.115673 | .00281951 |
| 6 | 5s | 73.943646 | .00017600 |
| 7 | 5s | 12.488840 | -.00815930 |
| 8 | 2s | 2.346182 | -.00015662 |
| 9 | 2s | 3.049749 | .00026348 |
| 10 | 3s | 116.243558 | -.00001039 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103788 | < R2 > | .014483 | < 1/R > | 14.575110 | < 1/R**2 > | 428.678679 |
Total Energy= -337.15462459 a.u.
Kinetic Energy= 337.14745915 a.u.
Potential Energy= -674.30208374 a.u.
Virial Ratio = -2.00002125