(1s 2 2s 2 2p 1 4p 1 ) 1 D N +
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 | .874886 | .42158777 |
| 2 | 3p | .881169 | -1.21062980 |
| 3 | 4p | .567754 | 1.60001603 |
| 4 | 5p | .874403 | -.34128546 |
| 5 | 2p | 3.740635 | .02231968 |
| 6 | 5p | 4.436155 | .00022071 |
| 7 | 3p | 6.912786 | -.00133302 |
| ORB.ENERGY,a.u. | -.157750 | ||
| NORM | 1.000002 | < R > | 9.072500 | < R2 > | 92.722227 | < 1/R > | .139299 | < 1/R**2 > | .034225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.482455 | .89249651 |
| 2 | 3p | .912009 | -.05246224 |
| 3 | 2p | 7.442868 | .01565172 |
| 4 | 5p | 5.207782 | -.01765824 |
| 5 | 5p | .630725 | .07508911 |
| 6 | 4p | 2.350345 | .17825310 |
| 7 | 3p | 19.024796 | .00005667 |
| 8 | 4p | .384870 | .00167124 |
| ORB.ENERGY,a.u. | -1.568500 | ||
| NORM | 1.000000 | < R > | 1.129442 | < R2 > | 1.845957 | < 1/R > | 1.163183 | < 1/R**2 > | 1.875628 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.425439 | .26745978 |
| 2 | 2s | 1.998803 | -.76567937 |
| 3 | 3s | 3.441778 | -.27760556 |
| 4 | 4s | 13.340416 | .00220090 |
| 5 | 5s | 7.008496 | -.02458231 |
| 6 | 5s | 2.343737 | .02509581 |
| 7 | 4s | 31.370215 | .00002703 |
| 8 | 4s | 4.047803 | .00422656 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180673 | < R2 > | 1.648278 | < 1/R > | 1.209579 | < 1/R**2 > | 5.912746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.273240 | .00617458 |
| 2 | 1s | 6.254251 | .70931561 |
| 3 | 1s | 9.330626 | .22655810 |
| 4 | 2s | 7.136915 | .08428077 |
| 5 | 3s | 7.715412 | -.01451748 |
| 6 | 4s | 12.819652 | .00523946 |
| 7 | 5s | 22.227514 | .00017316 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227686 | < R2 > | .069783 | < 1/R > | 6.663589 | < 1/R**2 > | 90.049671 |
Total Energy= -52.97598465 a.u.
Kinetic Energy= 52.97353192 a.u.
Potential Energy= -105.94951657 a.u.
Virial Ratio = -2.00004630