(1s 2 2s 2 2p 1 3d 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | .657110 | .96390327 |
| 2 | 3d | 2.777930 | .00894148 |
| 3 | 5d | 8.565838 | -.00009835 |
| 4 | 4d | .773384 | .03481358 |
| ORB.ENERGY,a.u. | -.218440 | ||
| NORM | 1.000000 | < R > | 5.333532 | < R2 > | 32.519457 | < 1/R > | .219237 | < 1/R**2 > | .058130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.075859 | .84007488 |
| 2 | 2p | 3.534813 | .17225876 |
| 3 | 2p | 7.848311 | .00971934 |
| 4 | 3p | 1.102713 | -.00350371 |
| 5 | 4p | 1.839806 | .01462789 |
| 6 | 4p | 12.108734 | -.00065709 |
| ORB.ENERGY,a.u. | -1.434400 | ||
| NORM | 1.000000 | < R > | 1.115463 | < R2 > | 1.528056 | < 1/R > | 1.155003 | < 1/R**2 > | 1.852213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.426471 | .26748832 |
| 2 | 2s | 2.002336 | -.76071630 |
| 3 | 3s | 3.460853 | -.27618361 |
| 4 | 4s | 13.100120 | .00233520 |
| 5 | 5s | 7.041796 | -.02323780 |
| 6 | 5s | 2.235196 | .03046344 |
| 7 | 4s | 28.305161 | .00003747 |
| 8 | 4s | 1.741559 | -.01009936 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180609 | < R2 > | 1.648530 | < 1/R > | 1.209898 | < 1/R**2 > | 5.916402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.268814 | .00613644 |
| 2 | 1s | 6.254417 | .70934723 |
| 3 | 1s | 9.330692 | .22655628 |
| 4 | 2s | 7.138031 | .08427849 |
| 5 | 3s | 7.702983 | -.01452804 |
| 6 | 4s | 12.795078 | .00522635 |
| 7 | 5s | 22.126817 | .00018652 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227671 | < R2 > | .069772 | < 1/R > | 6.663873 | < 1/R**2 > | 90.055568 |
Total Energy= -53.04407629 a.u.
Kinetic Energy= 53.03423058 a.u.
Potential Energy= -106.07830687 a.u.
Virial Ratio = -2.00018565