(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | .878204 | .44920055 |
| 2 | 5p | 1.570265 | .76087366 |
| 3 | 4p | 2.902098 | -.54195781 |
| 4 | 2p | 7.915477 | .11604857 |
| 5 | 5p | 5.383095 | -.11978758 |
| 6 | 3p | 16.566599 | -.00265126 |
| 7 | 5p | 17.253449 | -.00199328 |
| 8 | 4p | .835490 | -.01878761 |
| 9 | 4p | 56.245761 | .00001641 |
| ORB.ENERGY,a.u. | -.821370 | ||
| NORM | 1.000000 | < R > | 3.551762 | < R2 > | 14.091672 | < 1/R > | .370113 | < 1/R**2 > | .394231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 9.550352 | .10165265 |
| 2 | 3p | 13.903729 | -.00423520 |
| 3 | 4p | 1.583606 | .00500203 |
| 4 | 5p | 37.421669 | -.00027231 |
| 5 | 4p | 55.230726 | -.00005181 |
| 6 | 2p | 4.977288 | .36950121 |
| 7 | 2p | 1.890289 | -.44309784 |
| 8 | 3p | 2.538417 | -.68408257 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.454648 | < R2 > | 2.433121 | < 1/R > | .921361 | < 1/R**2 > | 1.867893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.900469 | -.11171753 |
| 2 | 1s | 12.186186 | .21383924 |
| 3 | 1s | 63.502789 | .00008502 |
| 4 | 2s | 5.544300 | -.46057114 |
| 5 | 3s | 2.680658 | 1.00647078 |
| 6 | 4s | 4.265607 | .10388084 |
| 7 | 3s | 36.731172 | -.00058557 |
| 8 | 5s | 2.300742 | .01847072 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.374289 | < R2 > | 2.150156 | < 1/R > | .992410 | < 1/R**2 > | 5.775488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788938 | .43083346 |
| 2 | 3p | 7.644264 | .51163198 |
| 3 | 5p | 4.432751 | .00576814 |
| 4 | 4p | 6.164923 | .15895110 |
| 5 | 2p | 24.277221 | .00158104 |
| 6 | 5p | 32.516666 | -.00015788 |
| 7 | 3p | 48.992314 | .00003008 |
| 8 | 4p | 1.104458 | -.00015545 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404319 | < R2 > | .202643 | < 1/R > | 3.209511 | < 1/R**2 > | 14.338524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735634 | .37713497 |
| 2 | 2s | 6.940950 | -.76940203 |
| 3 | 3s | 6.358019 | -.16290020 |
| 4 | 4s | 27.778426 | .00181435 |
| 5 | 2s | 4.982772 | -.19722138 |
| 6 | 3s | 17.387461 | .00698628 |
| 7 | 4s | 3.917794 | -.00033670 |
| 8 | 5s | 51.876076 | .00002952 |
| 9 | 5s | 1.361244 | .00003159 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439969 | < R2 > | .229107 | < 1/R > | 3.326622 | < 1/R**2 > | 45.510984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106184 |
| 2 | 2s | 20.635130 | -.01842063 |
| 3 | 3s | 15.105111 | .01701784 |
| 4 | 4s | 61.743321 | -.00038695 |
| 5 | 4s | 8.439703 | .00131564 |
| 6 | 5s | 79.818441 | .00010934 |
| 7 | 5s | 8.676728 | -.00052697 |
| 8 | 2s | 28.523782 | -.00343257 |
| 9 | 2s | 153.441958 | .00000266 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091275 | < R2 > | .011194 | < 1/R > | 16.562062 | < 1/R**2 > | 553.101505 |
Total Energy= -455.65539045 a.u.
Kinetic Energy= 455.68277549 a.u.
Potential Energy= -911.33816594 a.u.
Virial Ratio = -1.99993990