(1s 2 2s 2 2p 2 4p 1 ) 2 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 1.600245 | .05242578 |
| 2 | 3p | .399425 | -1.07705682 |
| 3 | 4p | .358893 | 1.22337644 |
| 4 | 5p | 1.005846 | -.07072747 |
| 5 | 2p | 4.234794 | .00845417 |
| 6 | 5p | .318676 | .46793680 |
| 7 | 5p | 6.299352 | .00190571 |
| ORB.ENERGY,a.u. | -.045189 | ||
| NORM | 1.000005 | < R > | 15.777481 | < R2 > | 281.628413 | < 1/R > | .081490 | < 1/R**2 > | .012719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.759645 | .71582852 |
| 2 | 2p | 2.973287 | .28224254 |
| 3 | 3p | .539509 | -.01455181 |
| 4 | 4p | .302577 | .02148196 |
| 5 | 4p | 7.134057 | .00994753 |
| 6 | 3p | 1.384609 | .03018428 |
| 7 | 2p | 7.148299 | .01809370 |
| 8 | 5p | 17.671871 | .00051608 |
| 9 | 4p | 27.456469 | .00012520 |
| ORB.ENERGY,a.u. | -.953580 | ||
| NORM | 1.000000 | < R > | 1.243967 | < R2 > | 2.003099 | < 1/R > | 1.057454 | < 1/R**2 > | 1.583849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.896322 | .28623228 |
| 2 | 2s | 2.456445 | -.83199027 |
| 3 | 3s | 1.980750 | -.26786077 |
| 4 | 4s | 8.318383 | .02240381 |
| 5 | 3s | 10.176307 | .00712057 |
| 6 | 5s | 2.862710 | -.01481038 |
| 7 | 5s | 16.411113 | .00093721 |
| 8 | 3s | 1.030176 | -.00061863 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253359 | < R2 > | 1.875949 | < 1/R > | 1.140373 | < 1/R**2 > | 5.282764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229970 | .71792149 |
| 2 | 1s | 9.301841 | .22516883 |
| 3 | 1s | 2.657001 | .00487125 |
| 4 | 2s | 6.903799 | .08339972 |
| 5 | 3s | 7.777019 | -.02158327 |
| 6 | 4s | 12.680467 | .00688897 |
| 7 | 5s | 28.041906 | .00017131 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228089 | < R2 > | .070097 | < 1/R > | 6.656651 | < 1/R**2 > | 89.909419 |
Total Energy= -53.93362855 a.u.
Kinetic Energy= 53.93319470 a.u.
Potential Energy= -107.86682325 a.u.
Virial Ratio = -2.00000804