(1s 2 2s 2 2p 1 5p 1 ) 3 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 4.331021 | .40904734 |
| 2 | 3p | 2.350482 | -3.65369577 |
| 3 | 4p | 2.064181 | 9.78972939 |
| 4 | 5p | 2.082575 | -7.20725720 |
| 5 | 2p | 9.858548 | .03325478 |
| 6 | 5p | 15.752542 | .00434522 |
| 7 | 5p | 26.231248 | .00042595 |
| 8 | 4p | 1.462628 | -.00980522 |
| ORB.ENERGY,a.u. | -2.134500 | ||
| NORM | 1.000000 | < R > | 3.423886 | < R2 > | 13.182650 | < 1/R > | .422186 | < 1/R**2 > | .621743 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.166221 | 1.08304232 |
| 2 | 3p | 7.549045 | -.09849928 |
| 3 | 2p | 14.636325 | .01512887 |
| 4 | 5p | 17.548557 | .00226993 |
| 5 | 4p | 29.510563 | -.00048997 |
| 6 | 5p | 6.298266 | .00278869 |
| 7 | 5p | 86.484375 | -.00001021 |
| ORB.ENERGY,a.u. | -17.222000 | ||
| NORM | 1.000000 | < R > | .396531 | < R2 > | .190330 | < 1/R > | 3.187807 | < 1/R**2 > | 13.752667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.939376 | .37325825 |
| 2 | 2s | 5.671506 | -.80880789 |
| 3 | 3s | 8.192530 | -.28224630 |
| 4 | 4s | 28.095136 | .00137196 |
| 5 | 5s | 15.908014 | -.01071520 |
| 6 | 5s | 6.251942 | .01671145 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456560 | < R2 > | .243900 | < 1/R > | 3.211780 | < 1/R**2 > | 41.723895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165400 | .93109284 |
| 2 | 1s | 21.902967 | .06849282 |
| 3 | 2s | 13.075654 | .01917215 |
| 4 | 3s | 16.115655 | -.01646964 |
| 5 | 4s | 74.497019 | -.00006302 |
| 6 | 5s | 34.480078 | .00080620 |
| 7 | 5s | 8.730183 | .00005275 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102976 | < R2 > | .014206 | < 1/R > | 14.647520 | < 1/R**2 > | 431.975178 |
Total Energy= -278.21864226 a.u.
Kinetic Energy= 278.22871133 a.u.
Potential Energy= -556.44735359 a.u.
Virial Ratio = -1.99996381