(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 7.439573 | .02993252 |
| 2 | 3p | .276686 | 2.46056821 |
| 3 | 3p | 4.993075 | .03879406 |
| 4 | 2p | 1.062635 | -.26582142 |
| 5 | 4p | .687513 | .51096765 |
| 6 | 5p | .377117 | -2.74501327 |
| 7 | 4p | 18.135251 | -.00049332 |
| 8 | 5p | 49.432943 | -.00003307 |
| 9 | 4p | .210820 | .09385493 |
| ORB.ENERGY,a.u. | -.198700 | ||
| NORM | 1.000006 | < R > | 8.670640 | < R2 > | 100.277855 | < 1/R > | .152910 | < 1/R**2 > | .046195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.894310 | .29329860 |
| 2 | 2p | 1.231697 | -.95237771 |
| 3 | 3p | 1.901809 | -.16555890 |
| 4 | 2p | 7.710664 | .09638500 |
| 5 | 3p | .298931 | .50355406 |
| 6 | 4p | .346265 | -.50752569 |
| 7 | 4p | 12.592177 | -.00305418 |
| 8 | 5p | 31.160573 | -.00010296 |
| 9 | 2p | 21.419303 | .00064201 |
| 10 | 5p | .224848 | .00780998 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.111134 | < R2 > | 5.598097 | < 1/R > | .628657 | < 1/R**2 > | .868610 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 4.743903 | -.24299896 |
| 2 | 3s | 1.914039 | .83935490 |
| 3 | 4s | 3.414340 | .19382487 |
| 4 | 3s | 29.311482 | -.00055392 |
| 5 | 5s | 1.730827 | .06539081 |
| 6 | 1s | 4.358676 | -.17711277 |
| 7 | 1s | 10.699358 | .17029804 |
| 8 | 1s | 40.021973 | .00025410 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848670 | < R2 > | 3.938428 | < 1/R > | .724680 | < 1/R**2 > | 2.966575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372954 | .42804930 |
| 2 | 3p | 6.500493 | .49506036 |
| 3 | 2p | 20.145673 | .00249423 |
| 4 | 4p | 5.239621 | .18072758 |
| 5 | 5p | 4.025156 | .01290535 |
| 6 | 3p | 38.758890 | .00006362 |
| 7 | 4p | 85.154552 | -.00000233 |
| 8 | 3p | 1.565419 | .00093073 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483389 | < R2 > | .291821 | < 1/R > | 2.706499 | < 1/R**2 > | 10.285842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194367 | .35988224 |
| 2 | 2s | 5.437868 | -.77667186 |
| 3 | 3s | 4.856355 | -.17147379 |
| 4 | 4s | 23.615833 | .00226391 |
| 5 | 2s | 6.760309 | -.17609656 |
| 6 | 3s | 15.373889 | .00817290 |
| 7 | 5s | 4.028378 | -.00309585 |
| 8 | 4s | 1.926278 | -.00024754 |
| 9 | 5s | 47.658908 | .00005593 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515327 | < R2 > | .315456 | < 1/R > | 2.833420 | < 1/R**2 > | 33.093537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.404809 | -.00021455 |
| 2 | 1s | 14.570410 | 1.01425831 |
| 3 | 2s | 21.105383 | -.02188134 |
| 4 | 3s | 11.321538 | .01689844 |
| 5 | 4s | 20.110155 | -.00094968 |
| 6 | 5s | 17.686128 | .00342830 |
| 7 | 5s | 62.487151 | -.00003186 |
| 8 | 4s | 12.074663 | -.00660203 |
| 9 | 2s | 54.221722 | .00013072 |
| 10 | 3s | 7.509939 | .00141292 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573861 | < 1/R**2 > | 428.620267 |
Total Energy= -340.40086077 a.u.
Kinetic Energy= 340.57934479 a.u.
Potential Energy= -680.98020556 a.u.
Virial Ratio = -1.99947594