(1s 2 2s 1 2p 1 ) 3 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 4.615232 | .08212114 |
| 2 | 3p | 6.467809 | -.02234173 |
| 3 | 4p | 1.907573 | .01197506 |
| 4 | 5p | 1.832609 | -.00367641 |
| 5 | 5p | 40.833032 | .00001658 |
| 6 | 2p | 2.374658 | .94760632 |
| ORB.ENERGY,a.u. | -2.528200 | ||
| NORM | 1.000000 | < R > | 1.027978 | < R2 > | 1.281887 | < 1/R > | 1.235396 | < 1/R**2 > | 2.085683 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.874244 | .33054971 |
| 2 | 2s | 2.598426 | -.84478869 |
| 3 | 3s | 2.996120 | -.23908288 |
| 4 | 4s | 8.085071 | .05555943 |
| 5 | 5s | 9.573702 | -.01821811 |
| 6 | 5s | 2.825450 | -.03207884 |
| 7 | 3s | 11.482405 | .00505771 |
| ORB.ENERGY,a.u. | -2.898800 | ||
| NORM | 1.000000 | < R > | 1.102005 | < R2 > | 1.422009 | < 1/R > | 1.299734 | < 1/R**2 > | 6.810735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.250722 | .89512888 |
| 2 | 1s | 10.152674 | .11159046 |
| 3 | 2s | 7.196926 | .01092920 |
| 4 | 3s | 8.597873 | -.01355710 |
| 5 | 4s | 12.730961 | .00453640 |
| 6 | 5s | 9.575541 | -.00244449 |
| 7 | 5s | 50.989151 | -.00002323 |
| 8 | 4s | 2.009053 | -.00010892 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227485 | < R2 > | .069625 | < 1/R > | 6.667526 | < 1/R**2 > | 90.138611 |
Total Energy= -50.76860978 a.u.
Kinetic Energy= 50.85477850 a.u.
Potential Energy= -101.62338828 a.u.
Virial Ratio = -1.99830559