(1s 2 2s 2 2p 3 3p 1 ) 3 P Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.738135 | 1.39506005 |
2 | 3p | 4.005488 | -2.11161396 |
3 | 2p | 11.719809 | .07942190 |
4 | 4p | 6.712963 | -.08389449 |
5 | 5p | 3.245931 | -.00977720 |
6 | 4p | 16.684395 | .00495894 |
7 | 5p | 44.936724 | -.00005368 |
8 | 4p | 2.619222 | .00477418 |
ORB.ENERGY,a.u. | -7.664900 |
NORM | 1.000000 | < R > | 1.009393 | < R2 > | 1.155393 | < 1/R > | 1.304780 | < 1/R**2 > | 3.428887 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.278725 | 1.25315259 |
2 | 3p | 9.346340 | -.30756666 |
3 | 4p | 11.469115 | .05706689 |
4 | 5p | 5.176099 | -.00880325 |
5 | 4p | 30.181163 | -.00156768 |
6 | 3p | 39.762248 | -.00022275 |
7 | 4p | 3.891235 | -.00600146 |
ORB.ENERGY,a.u. | -21.335000 |
NORM | 1.000000 | < R > | .334001 | < R2 > | .134861 | < 1/R > | 3.787459 | < 1/R**2 > | 19.461489 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.090543 | .42641500 |
2 | 2s | 7.896341 | -.87175493 |
3 | 3s | 7.655802 | -.29217563 |
4 | 4s | 31.032209 | .00171297 |
5 | 3s | 16.198640 | .01681844 |
6 | 5s | 7.315284 | -.01170028 |
ORB.ENERGY,a.u. | -21.808000 |
NORM | 1.000000 | < R > | .386901 | < R2 > | .175698 | < 1/R > | 3.795431 | < 1/R**2 > | 58.614547 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.181875 | .94542861 |
2 | 1s | 26.956538 | .05204496 |
3 | 2s | 15.425480 | .01873761 |
4 | 3s | 21.681786 | -.01473436 |
5 | 4s | 32.487973 | .00255400 |
6 | 5s | 62.054225 | .00010552 |
7 | 5s | 13.682665 | .00043591 |
ORB.ENERGY,a.u. | -130.480000 |
NORM | 1.000000 | < R > | .085737 | < R2 > | .009856 | < 1/R > | 17.600827 | < 1/R**2 > | 623.739357 |
Total Energy= -460.94723521 a.u.
Kinetic Energy= 460.83960413 a.u.
Potential Energy= -921.78683934 a.u.
Virial Ratio = -2.00023355