(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | .922650 | .51768650 |
| 2 | 5p | 1.539471 | .71785140 |
| 3 | 4p | 4.360073 | -.25651169 |
| 4 | 2p | 7.922637 | .08898863 |
| 5 | 5p | 3.129125 | -.34400225 |
| 6 | 3p | 10.749776 | -.01190265 |
| 7 | 4p | 35.908751 | -.00008987 |
| 8 | 3p | .731824 | -.01222072 |
| ORB.ENERGY,a.u. | -1.012300 | ||
| NORM | 1.000000 | < R > | 3.640095 | < R2 > | 14.522447 | < 1/R > | .328618 | < 1/R**2 > | .243313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 2.595659 | -1.30329997 |
| 2 | 5p | 2.353158 | -.51277752 |
| 3 | 4p | 7.743896 | .11580792 |
| 4 | 2p | 8.316512 | .28630485 |
| 5 | 4p | 2.124167 | .69473414 |
| 6 | 5p | 11.074760 | .00706128 |
| 7 | 3p | 17.605452 | -.00321810 |
| 8 | 3p | 1.154472 | .07145693 |
| 9 | 4p | 156.368553 | .00000020 |
| 10 | 5p | 45.924998 | -.00004125 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.312589 | < R2 > | 1.974473 | < 1/R > | 1.018371 | < 1/R**2 > | 2.261300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.202382 | -.39850367 |
| 2 | 1s | 12.999101 | .20741960 |
| 3 | 1s | 67.192551 | .00007758 |
| 4 | 2s | 6.215242 | -.22928072 |
| 5 | 3s | 2.950441 | 1.06242575 |
| 6 | 4s | 5.145129 | .15371676 |
| 7 | 3s | 39.299764 | -.00051886 |
| 8 | 5s | 2.648272 | .03402915 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.271383 | < R2 > | 1.841932 | < 1/R > | 1.077440 | < 1/R**2 > | 6.847480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.908156 | -.02051728 |
| 2 | 2p | 3.789682 | .06608414 |
| 3 | 2p | 15.937435 | .15445809 |
| 4 | 3p | 12.497599 | .42301276 |
| 5 | 4p | 9.799125 | .39673639 |
| 6 | 5p | 7.873231 | .12834301 |
| 7 | 5p | 17.660270 | -.00511101 |
| 8 | 3p | 44.658698 | .00005842 |
| 9 | 3p | 2.175349 | .01375498 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374514 | < R2 > | .173495 | < 1/R > | 3.455953 | < 1/R**2 > | 16.575815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441040 | .38636813 |
| 2 | 2s | 7.559297 | -.82710197 |
| 3 | 3s | 6.829628 | -.28881900 |
| 4 | 4s | 30.512173 | .00183319 |
| 5 | 3s | 17.090512 | .00829967 |
| 6 | 2s | 2.734205 | -.05815074 |
| 7 | 4s | 3.686029 | .02930591 |
| 8 | 5s | 2.698238 | .00124654 |
| 9 | 5s | 79.268165 | .00001271 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410818 | < R2 > | .199594 | < 1/R > | 3.567088 | < 1/R**2 > | 52.291886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572589 | 1.01064703 |
| 2 | 2s | 23.225250 | -.01614619 |
| 3 | 3s | 14.055560 | .01751618 |
| 4 | 4s | 35.500908 | -.00051526 |
| 5 | 4s | 11.867823 | .00190079 |
| 6 | 5s | 44.515238 | .00039310 |
| 7 | 5s | 15.697895 | -.00472056 |
| 8 | 2s | 30.285821 | -.00324958 |
| 9 | 2s | 68.147198 | .00008521 |
| 10 | 5s | 3.580792 | -.00001196 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086086 | < R2 > | .009955 | < 1/R > | 17.555575 | < 1/R**2 > | 621.253787 |
Total Energy= -522.54212659 a.u.
Kinetic Energy= 522.51645200 a.u.
Potential Energy= -1045.05857859 a.u.
Virial Ratio = -2.00004914