(1s 2 2s 2 2p 1 4p 1 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | .564595 | .28623458 |
| 2 | 3p | .585562 | -.81663848 |
| 3 | 4p | .302985 | 1.35610362 |
| 4 | 5p | .537983 | -.37461329 |
| 5 | 2p | 2.938277 | .01326476 |
| 6 | 5p | 1.024449 | .02636734 |
| 7 | 3p | 5.257805 | -.00115251 |
| ORB.ENERGY,a.u. | -.043618 | ||
| NORM | .999998 | < R > | 16.331061 | < R2 > | 301.300974 | < 1/R > | .077720 | < 1/R**2 > | .010191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.934735 | .87511811 |
| 2 | 3p | .507526 | -.02855057 |
| 3 | 2p | 6.051575 | .01826143 |
| 4 | 5p | 4.081984 | -.02581053 |
| 5 | 5p | .362689 | .03534023 |
| 6 | 4p | 1.768105 | .20266585 |
| 7 | 3p | 21.284527 | .00002991 |
| 8 | 4p | .254584 | .01202260 |
| ORB.ENERGY,a.u. | -.778450 | ||
| NORM | 1.000000 | < R > | 1.479134 | < R2 > | 3.088955 | < 1/R > | .889903 | < 1/R**2 > | 1.113063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579405 | .24019403 |
| 2 | 2s | 1.547368 | -.76573120 |
| 3 | 3s | 2.874086 | -.27106236 |
| 4 | 4s | 11.500298 | .00210802 |
| 5 | 5s | 5.912509 | -.02789021 |
| 6 | 5s | 1.880024 | .03086592 |
| 7 | 2s | 30.363189 | -.00000627 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476642 | < R2 > | 2.593710 | < 1/R > | .960462 | < 1/R**2 > | 3.710984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212877 | .71610097 |
| 2 | 1s | 8.200687 | .22612678 |
| 3 | 1s | 2.394444 | .00359642 |
| 4 | 2s | 6.451011 | .08048097 |
| 5 | 3s | 6.780264 | -.01402518 |
| 6 | 4s | 10.924669 | .00565500 |
| 7 | 5s | 42.399047 | -.00002660 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268112 | < R2 > | .096888 | < 1/R > | 5.668367 | < 1/R**2 > | 65.300423 |
Total Energy= -37.33657247 a.u.
Kinetic Energy= 37.33584080 a.u.
Potential Energy= -74.67241327 a.u.
Virial Ratio = -2.00001960