(1s 2 2s 2 2p 4 5p 1 ) 4 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 2.175233 | .03378950 |
| 2 | 3p | .620828 | -.36624978 |
| 3 | 4p | .250508 | .81228692 |
| 4 | 5p | .244285 | -2.05026742 |
| 5 | 2p | 4.566605 | .01587337 |
| 6 | 5p | 5.639712 | .00130836 |
| 7 | 5p | .377621 | .93428520 |
| 8 | 3p | 8.506600 | -.00079766 |
| ORB.ENERGY,a.u. | -.028248 | ||
| NORM | 1.000002 | < R > | 25.643072 | < R2 > | 741.787959 | < 1/R > | .054437 | < 1/R**2 > | .010549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.248215 | .67947612 |
| 2 | 2p | 4.025073 | .30630068 |
| 3 | 2p | 8.243530 | .02248052 |
| 4 | 3p | 1.622448 | .06839360 |
| 5 | 4p | 1.048846 | -.01054946 |
| 6 | 4p | .915644 | -.02420676 |
| 7 | 5p | 10.871146 | .00393569 |
| 8 | 5p | 1.055672 | .02754560 |
| 9 | 3p | 49.663119 | .00000464 |
| ORB.ENERGY,a.u. | -1.147400 | ||
| NORM | 1.000000 | < R > | .970011 | < R2 > | 1.195723 | < 1/R > | 1.377707 | < 1/R**2 > | 2.731771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.457756 | .30448561 |
| 2 | 2s | 3.294166 | -.84025182 |
| 3 | 3s | 2.612201 | -.32105013 |
| 4 | 4s | 4.929649 | .03257553 |
| 5 | 3s | 8.530089 | .02810806 |
| 6 | 5s | 18.569783 | .00092019 |
| 7 | 5s | 2.320111 | -.00593073 |
| 8 | 3s | 32.009025 | -.00005945 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961008 | < R2 > | 1.108843 | < 1/R > | 1.503228 | < 1/R**2 > | 9.294891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.236486 | .87437551 |
| 2 | 1s | 12.232210 | .12129928 |
| 3 | 1s | 5.651712 | .00007209 |
| 4 | 2s | 6.006553 | .01823681 |
| 5 | 3s | 8.236495 | -.00758466 |
| 6 | 4s | 17.056140 | .00297933 |
| 7 | 5s | 52.990414 | -.00003929 |
| 8 | 5s | 4.119746 | .00043664 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632429 | < 1/R**2 > | 150.886703 |
Total Energy= -98.85973998 a.u.
Kinetic Energy= 98.85996060 a.u.
Potential Energy= -197.71970057 a.u.
Virial Ratio = -1.99999777