(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | 1.246414 | 1.10017969 |
| 2 | 4d | 1.081093 | -2.16526112 |
| 3 | 3d | 2.136227 | .60860077 |
| 4 | 4d | 2.373134 | -.38259289 |
| 5 | 5d | 3.792084 | -.08040051 |
| 6 | 5d | 1.230917 | .42872239 |
| 7 | 3d | 7.393652 | .01305554 |
| 8 | 4d | 50.699088 | .00000290 |
| ORB.ENERGY,a.u. | -.555300 | ||
| NORM | 1.000001 | < R > | 4.540599 | < R2 > | 23.999578 | < 1/R > | .314591 | < 1/R**2 > | .191732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 9.874129 | .08787633 |
| 2 | 3p | 17.780655 | -.00211669 |
| 3 | 4p | 79.513735 | .00000474 |
| 4 | 2p | 5.059319 | .38059460 |
| 5 | 2p | 1.973717 | -.48514952 |
| 6 | 3p | 2.432296 | -.64022014 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.472899 | < R2 > | 2.496367 | < 1/R > | .908948 | < 1/R**2 > | 1.818454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.353487 | -.36452390 |
| 2 | 1s | 12.222761 | .20692470 |
| 3 | 1s | 65.272497 | .00007855 |
| 4 | 2s | 5.617860 | -.22530097 |
| 5 | 3s | 2.736754 | 1.05881712 |
| 6 | 4s | 4.780344 | .10666427 |
| 7 | 3s | 36.903345 | -.00059276 |
| 8 | 5s | 2.548929 | .03785394 |
| 9 | 2s | 1.152073 | -.00139603 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.375747 | < R2 > | 2.154035 | < 1/R > | .990813 | < 1/R**2 > | 5.753096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.787936 | .43109285 |
| 2 | 3p | 7.644451 | .51141668 |
| 3 | 5p | 4.408646 | .00578497 |
| 4 | 4p | 6.163921 | .15892369 |
| 5 | 2p | 24.311503 | .00157542 |
| 6 | 5p | 32.816424 | -.00015633 |
| 7 | 3p | 47.920320 | .00003084 |
| 8 | 4p | 1.908720 | .00008844 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404276 | < R2 > | .202618 | < 1/R > | 3.210000 | < 1/R**2 > | 14.343014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735562 | .37722713 |
| 2 | 2s | 6.942390 | -.76947562 |
| 3 | 3s | 6.360804 | -.16289061 |
| 4 | 4s | 27.582658 | .00176521 |
| 5 | 2s | 4.979798 | -.19723989 |
| 6 | 3s | 17.522192 | .00694648 |
| 7 | 4s | 3.013019 | -.00023540 |
| 8 | 5s | 48.037140 | .00004400 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439879 | < R2 > | .229012 | < 1/R > | 3.327381 | < 1/R**2 > | 45.530538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579314 | 1.01106407 |
| 2 | 2s | 20.621033 | -.01842405 |
| 3 | 3s | 15.112674 | .01700874 |
| 4 | 4s | 61.854614 | -.00038890 |
| 5 | 4s | 8.416464 | .00132194 |
| 6 | 5s | 79.821496 | .00010952 |
| 7 | 5s | 8.662249 | -.00052839 |
| 8 | 2s | 28.527612 | -.00343299 |
| 9 | 2s | 162.039228 | .00000239 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091272 | < R2 > | .011193 | < 1/R > | 16.562448 | < 1/R**2 > | 553.121766 |
Total Energy= -455.45251515 a.u.
Kinetic Energy= 455.41738147 a.u.
Potential Energy= -910.86989662 a.u.
Virial Ratio = -2.00007715