(1s 2 2s 2 2p 2 4p 1 ) 4 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 7.407292 | .27317869 |
| 2 | 3p | 2.507015 | -.71209598 |
| 3 | 5p | 2.791812 | 1.42073111 |
| 4 | 4p | 4.076004 | -.65085598 |
| 5 | 5p | 9.961885 | .02370507 |
| 6 | 4p | 25.030094 | -.00173013 |
| 7 | 5p | 3.477367 | .38547103 |
| 8 | 5p | 60.949722 | -.00011367 |
| 9 | 4p | 95.138813 | -.00002075 |
| 10 | 4p | .657759 | .00008718 |
| ORB.ENERGY,a.u. | -3.461600 | ||
| NORM | 1.000000 | < R > | 2.080085 | < R2 > | 4.895011 | < 1/R > | .682183 | < 1/R**2 > | 1.308300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.304721 | 1.14341285 |
| 2 | 3p | 7.397110 | -.16528402 |
| 3 | 2p | 15.485538 | .01921681 |
| 4 | 4p | 18.110277 | .00484485 |
| 5 | 5p | 29.445080 | -.00069595 |
| 6 | 5p | 2.575496 | -.00040681 |
| 7 | 4p | 87.861768 | .00001085 |
| ORB.ENERGY,a.u. | -17.924000 | ||
| NORM | 1.000000 | < R > | .378409 | < R2 > | .173801 | < 1/R > | 3.350941 | < 1/R**2 > | 15.249584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.585044 | .42355285 |
| 2 | 2s | 7.000038 | -.86265099 |
| 3 | 3s | 7.161784 | -.28374902 |
| 4 | 4s | 27.307211 | .00209460 |
| 5 | 3s | 14.371978 | .02037430 |
| 6 | 5s | 7.277534 | -.02902618 |
| 7 | 4s | 2.643633 | .00036100 |
| 8 | 3s | 3.015920 | -.00038549 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433667 | < R2 > | .220420 | < 1/R > | 3.381310 | < 1/R**2 > | 46.400811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111197 | .92674057 |
| 2 | 1s | 23.113798 | .07200427 |
| 3 | 2s | 14.081388 | .01950283 |
| 4 | 3s | 17.756127 | -.01558765 |
| 5 | 5s | 37.576885 | .00090281 |
| 6 | 4s | 89.426673 | -.00003645 |
| 7 | 5s | 12.084056 | .00033954 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096571 | < R2 > | .012501 | < 1/R > | 15.625366 | < 1/R**2 > | 491.671044 |
Total Energy= -338.36080223 a.u.
Kinetic Energy= 338.38750616 a.u.
Potential Energy= -676.74830839 a.u.
Virial Ratio = -1.99992108