(1s 2 2s 2 2p 2 4p 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 3.201571 | .17645953 |
| 2 | 3p | .959703 | -1.08916166 |
| 3 | 4p | .857693 | 1.87272216 |
| 4 | 5p | 2.109939 | -.15978479 |
| 5 | 2p | 7.219405 | .00978614 |
| 6 | 5p | 1.503506 | -.17744571 |
| 7 | 5p | 10.329132 | .00218371 |
| ORB.ENERGY,a.u. | -.353150 | ||
| NORM | .999998 | < R > | 6.092054 | < R2 > | 41.933387 | < 1/R > | .226429 | < 1/R**2 > | .148401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.775340 | .79366417 |
| 2 | 2p | 4.558723 | .21808089 |
| 3 | 2p | 9.424411 | .01211562 |
| 4 | 3p | 1.717719 | .01552006 |
| 5 | 4p | 1.581523 | -.00543893 |
| 6 | 5p | 19.865576 | -.00066495 |
| 7 | 5p | .664880 | -.00024681 |
| 8 | 4p | 29.027251 | -.00010288 |
| ORB.ENERGY,a.u. | -2.950600 | ||
| NORM | 1.000000 | < R > | .817877 | < R2 > | .823439 | < 1/R > | 1.577387 | < 1/R**2 > | 3.452521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.464992 | .33118894 |
| 2 | 2s | 3.416906 | -.84773608 |
| 3 | 3s | 3.131439 | -.25674893 |
| 4 | 4s | 10.141641 | .01336399 |
| 5 | 3s | 11.289998 | .01384949 |
| 6 | 5s | 3.239799 | -.01878416 |
| 7 | 5s | 32.977335 | -.00011902 |
| 8 | 2s | 40.390577 | .00003545 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881544 | < R2 > | .918765 | < 1/R > | 1.635186 | < 1/R**2 > | 10.888212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278435 | .68782274 |
| 2 | 1s | 12.188767 | .22282636 |
| 3 | 1s | 2.709846 | .00564026 |
| 4 | 2s | 9.055450 | .12781244 |
| 5 | 3s | 10.151776 | -.02748433 |
| 6 | 4s | 17.001303 | .00344870 |
| 7 | 5s | 4.818755 | -.00124994 |
| 8 | 5s | 54.546350 | -.00002814 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175240 | < R2 > | .041304 | < 1/R > | 8.644982 | < 1/R**2 > | 151.216868 |
Total Energy= -95.66915216 a.u.
Kinetic Energy= 95.67272571 a.u.
Potential Energy= -191.34187787 a.u.
Virial Ratio = -1.99996265