(1s 2 2s 2 2p 5 3p 1 ) 1 S Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 4.362623 | .52845735 |
| 2 | 3p | 2.886031 | -1.25854505 |
| 3 | 4p | 8.366490 | -.03913086 |
| 4 | 2p | 12.822168 | .02984821 |
| 5 | 5p | 21.885993 | .00235087 |
| 6 | 5p | 2.666459 | .02722037 |
| 7 | 4p | 2.236987 | -.01567572 |
| 8 | 4p | 31.078508 | .00048822 |
| 9 | 3p | 49.876310 | .00002748 |
| ORB.ENERGY,a.u. | -4.226300 | ||
| NORM | 1.000000 | < R > | 1.349010 | < R2 > | 2.036792 | < 1/R > | .916774 | < 1/R**2 > | 1.550089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.068891 | 1.55156373 |
| 2 | 3p | 7.615306 | -.69585310 |
| 3 | 4p | 9.185544 | .14863529 |
| 4 | 5p | 5.979199 | -.00662280 |
| 5 | 5p | 29.724536 | -.00206262 |
| 6 | 4p | 39.892909 | -.00091233 |
| 7 | 4p | 3.238829 | -.02797746 |
| 8 | 3p | 60.292945 | -.00006056 |
| ORB.ENERGY,a.u. | -13.345000 | ||
| NORM | 1.000000 | < R > | .382651 | < R2 > | .178674 | < 1/R > | 3.342937 | < 1/R**2 > | 15.366076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.598397 | .39134538 |
| 2 | 2s | 7.163423 | -.84246582 |
| 3 | 3s | 6.482498 | -.30475426 |
| 4 | 4s | 16.617808 | .00206002 |
| 5 | 3s | 17.232161 | .00921191 |
| 6 | 5s | 33.791106 | .00114345 |
| 7 | 5s | 5.862713 | -.00454628 |
| 8 | 4s | 40.130122 | .00033318 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430390 | < R2 > | .218472 | < 1/R > | 3.400942 | < 1/R**2 > | 47.395997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181177 | .92768627 |
| 2 | 1s | 23.791506 | .06820215 |
| 3 | 2s | 10.229884 | .02121382 |
| 4 | 3s | 12.584043 | -.02155112 |
| 5 | 4s | 15.453536 | .01075948 |
| 6 | 5s | 40.726571 | .00057662 |
| 7 | 4s | 85.132935 | -.00004767 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091169 | < R2 > | .011162 | < 1/R > | 16.574253 | < 1/R**2 > | 553.735322 |
Total Energy= -436.41381134 a.u.
Kinetic Energy= 436.22913616 a.u.
Potential Energy= -872.64294751 a.u.
Virial Ratio = -2.00042334