(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 1.515079 | 1.13032572 |
| 2 | 4d | 1.830760 | -.26720375 |
| 3 | 3d | 3.320594 | .31732145 |
| 4 | 4d | 3.846642 | -.10898373 |
| 5 | 5d | 7.123903 | -.01375278 |
| 6 | 3d | 9.553701 | .00417342 |
| 7 | 5d | 1.183903 | .00372765 |
| ORB.ENERGY,a.u. | -.991150 | ||
| NORM | 1.000000 | < R > | 2.036940 | < R2 > | 4.982015 | < 1/R > | .614402 | < 1/R**2 > | .499075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.112614 | .35811880 |
| 2 | 2p | 1.734978 | -.49068365 |
| 3 | 3p | 2.604310 | -.58936446 |
| 4 | 2p | 9.905935 | .08532391 |
| 5 | 3p | 17.945226 | -.00201772 |
| 6 | 4p | 1.737717 | .01908083 |
| 7 | 5p | 2.405900 | -.05438646 |
| 8 | 4p | 74.488440 | .00000534 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.501275 | < R2 > | 2.606266 | < 1/R > | .895060 | < 1/R**2 > | 1.773902 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.237503 | -.35935410 |
| 2 | 1s | 12.250253 | .20001796 |
| 3 | 1s | 65.491521 | .00007620 |
| 4 | 2s | 5.788090 | -.21498099 |
| 5 | 3s | 2.704481 | 1.00806905 |
| 6 | 4s | 4.654751 | .13428099 |
| 7 | 3s | 36.932069 | -.00058127 |
| 8 | 5s | 2.515693 | .06449903 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.398248 | < R2 > | 2.230819 | < 1/R > | .974314 | < 1/R**2 > | 5.555239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788950 | .43109694 |
| 2 | 3p | 7.643757 | .51133828 |
| 3 | 5p | 4.381373 | .00619833 |
| 4 | 4p | 6.158771 | .15895916 |
| 5 | 2p | 24.760150 | .00148389 |
| 6 | 5p | 31.023542 | -.00015484 |
| 7 | 3p | 45.386457 | .00004454 |
| 8 | 3p | 1.790893 | .00059216 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404523 | < R2 > | .202964 | < 1/R > | 3.209023 | < 1/R**2 > | 14.336973 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.733815 | .37722208 |
| 2 | 2s | 6.944831 | -.76950019 |
| 3 | 3s | 6.360159 | -.16287180 |
| 4 | 4s | 27.421854 | .00174850 |
| 5 | 2s | 4.969406 | -.19736208 |
| 6 | 3s | 17.550152 | .00697059 |
| 7 | 4s | 3.072673 | -.00045307 |
| 8 | 5s | 47.101243 | .00005721 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440009 | < R2 > | .229181 | < 1/R > | 3.326631 | < 1/R**2 > | 45.512872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579440 | 1.01106205 |
| 2 | 2s | 20.616639 | -.01842211 |
| 3 | 3s | 15.116476 | .01700432 |
| 4 | 4s | 61.873428 | -.00038954 |
| 5 | 4s | 8.412569 | .00132414 |
| 6 | 5s | 79.918589 | .00010956 |
| 7 | 5s | 8.656373 | -.00052827 |
| 8 | 2s | 28.531497 | -.00343351 |
| 9 | 2s | 162.410911 | .00000237 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091271 | < R2 > | .011193 | < 1/R > | 16.562611 | < 1/R**2 > | 553.130565 |
Total Energy= -455.99996580 a.u.
Kinetic Energy= 455.85423249 a.u.
Potential Energy= -911.85419829 a.u.
Virial Ratio = -2.00031969