(1s 2 2s 2 2p 2 5p 1 ) 4 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 4.195056 | .32189963 |
| 2 | 3p | 2.201596 | -3.11887334 |
| 3 | 4p | 1.965111 | 7.42760392 |
| 4 | 5p | 1.898700 | -5.16086554 |
| 5 | 2p | 8.633902 | .05336519 |
| 6 | 5p | 28.648751 | -.00065742 |
| 7 | 4p | 1.460480 | -.08518382 |
| 8 | 4p | 42.413924 | -.00015014 |
| ORB.ENERGY,a.u. | -1.760600 | ||
| NORM | 1.000000 | < R > | 3.734361 | < R2 > | 15.680173 | < 1/R > | .386351 | < 1/R**2 > | .529454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.816892 | 1.15000980 |
| 2 | 3p | 6.885159 | -.17215650 |
| 3 | 2p | 14.439188 | .02034588 |
| 4 | 4p | 16.142372 | .00567560 |
| 5 | 5p | 26.701313 | -.00040012 |
| 6 | 5p | 1.133589 | .00010037 |
| 7 | 4p | 5.672970 | -.00176720 |
| 8 | 3p | 42.532608 | .00004521 |
| ORB.ENERGY,a.u. | -15.232000 | ||
| NORM | 1.000000 | < R > | .409381 | < R2 > | .203575 | < 1/R > | 3.100621 | < 1/R**2 > | 13.074364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.921933 | .41184979 |
| 2 | 2s | 6.452846 | -.85486410 |
| 3 | 3s | 6.633164 | -.28052023 |
| 4 | 4s | 25.210273 | .00213917 |
| 5 | 3s | 14.041295 | .01752867 |
| 6 | 5s | 6.669031 | -.02745571 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467150 | < R2 > | .255874 | < 1/R > | 3.134174 | < 1/R**2 > | 39.884702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.109483 | .92171890 |
| 2 | 1s | 21.590317 | .07718923 |
| 3 | 2s | 13.448381 | .01933244 |
| 4 | 3s | 16.735685 | -.01553552 |
| 5 | 5s | 35.613017 | .00099114 |
| 6 | 4s | 86.794630 | -.00003314 |
| 7 | 5s | 11.649943 | .00051205 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103192 | < R2 > | .014278 | < 1/R > | 14.627818 | < 1/R**2 > | 431.072394 |
Total Energy= -293.44939678 a.u.
Kinetic Energy= 293.45483787 a.u.
Potential Energy= -586.90423465 a.u.
Virial Ratio = -1.99998146