(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 S Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p | 43.506485 | .00004779 |
| 2 | 2p | .791368 | .37895394 |
| 3 | 5p | 1.533039 | .79040308 |
| 4 | 4p | 2.883584 | -.45972528 |
| 5 | 2p | 7.827878 | .11378616 |
| 6 | 5p | 5.297275 | -.11995664 |
| 7 | 3p | 13.314629 | -.00560244 |
| 8 | 5p | 25.882117 | .00049777 |
| 9 | 4p | .756551 | -.03335853 |
| 10 | 3p | .475952 | .00367350 |
| ORB.ENERGY,a.u. | -.786670 | ||
| NORM | 1.000000 | < R > | 3.655347 | < R2 > | 14.892655 | < 1/R > | .355865 | < 1/R**2 > | .360169 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 9.700682 | .09563264 |
| 2 | 3p | 14.830554 | -.00328637 |
| 3 | 4p | 1.421586 | .08425221 |
| 4 | 5p | 38.229656 | -.00021584 |
| 5 | 4p | 56.212413 | -.00003893 |
| 6 | 2p | 5.185289 | .32105296 |
| 7 | 2p | 1.158021 | -.22957640 |
| 8 | 3p | 2.618582 | -.93316221 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.448116 | < R2 > | 2.415082 | < 1/R > | .927623 | < 1/R**2 > | 1.895970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.895989 | -.11176925 |
| 2 | 1s | 12.185410 | .21388734 |
| 3 | 1s | 63.578960 | .00008497 |
| 4 | 2s | 5.544619 | -.46065320 |
| 5 | 3s | 2.681469 | 1.00660445 |
| 6 | 4s | 4.260454 | .10385282 |
| 7 | 3s | 36.696927 | -.00058878 |
| 8 | 5s | 2.306853 | .01822490 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.373878 | < R2 > | 2.148733 | < 1/R > | .992707 | < 1/R**2 > | 5.779070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.789189 | .43079974 |
| 2 | 3p | 7.644229 | .51166734 |
| 3 | 5p | 4.421001 | .00582458 |
| 4 | 4p | 6.164312 | .15895701 |
| 5 | 2p | 24.279558 | .00157985 |
| 6 | 5p | 32.552561 | -.00015756 |
| 7 | 3p | 48.975718 | .00003018 |
| 8 | 4p | 1.100300 | -.00023013 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404340 | < R2 > | .202671 | < 1/R > | 3.209416 | < 1/R**2 > | 14.337874 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735588 | .37713943 |
| 2 | 2s | 6.940972 | -.76940940 |
| 3 | 3s | 6.357689 | -.16290403 |
| 4 | 4s | 27.765505 | .00181252 |
| 5 | 2s | 4.982986 | -.19722022 |
| 6 | 3s | 17.392300 | .00698649 |
| 7 | 4s | 3.861672 | -.00032886 |
| 8 | 5s | 51.661869 | .00003038 |
| 9 | 5s | 1.327479 | .00002893 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439966 | < R2 > | .229104 | < 1/R > | 3.326644 | < 1/R**2 > | 45.511552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106222 |
| 2 | 2s | 20.634878 | -.01842087 |
| 3 | 3s | 15.105111 | .01701743 |
| 4 | 4s | 61.754633 | -.00038689 |
| 5 | 4s | 8.441661 | .00131543 |
| 6 | 5s | 79.843781 | .00010934 |
| 7 | 5s | 8.681343 | -.00052662 |
| 8 | 2s | 28.524478 | -.00343265 |
| 9 | 2s | 153.064696 | .00000266 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091275 | < R2 > | .011194 | < 1/R > | 16.562068 | < 1/R**2 > | 553.101789 |
Total Energy= -455.65620880 a.u.
Kinetic Energy= 455.64806381 a.u.
Potential Energy= -911.30427260 a.u.
Virial Ratio = -2.00001788