(1s 2 2s 2 2p 4 3d 1 ) 4 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3.522284 | 1.10061632 |
2 | 3d | 8.395612 | .03731324 |
3 | 4d | 4.362885 | -.12666812 |
4 | 5d | 28.234127 | -.00014069 |
5 | 5d | 3.242128 | .00666635 |
ORB.ENERGY,a.u. | -5.801500 |
NORM | 1.000000 | < R > | .974833 | < R2 > | 1.098902 | < 1/R > | 1.217507 | < 1/R**2 > | 1.824116 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.494522 | 1.13567525 |
2 | 3p | 7.281933 | -.21333992 |
3 | 2p | 13.724220 | .07081585 |
4 | 4p | 16.436271 | .01173556 |
5 | 5p | 6.744886 | .00243246 |
6 | 4p | 3.204353 | .00015125 |
7 | 3p | 53.672183 | .00002996 |
ORB.ENERGY,a.u. | -18.462000 |
NORM | 1.000000 | < R > | .349137 | < R2 > | .149038 | < 1/R > | 3.661148 | < 1/R**2 > | 18.358603 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.162868 | .41511027 |
2 | 2s | 7.819528 | -.86014122 |
3 | 3s | 7.340982 | -.30123653 |
4 | 4s | 12.994814 | .00387077 |
5 | 3s | 17.390643 | .01470045 |
6 | 5s | 39.318553 | .00065398 |
7 | 5s | 7.167822 | -.01096863 |
8 | 3s | 69.682603 | -.00002121 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .394086 | < R2 > | .182661 | < 1/R > | 3.722984 | < 1/R**2 > | 56.572087 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.132907 | .91984916 |
2 | 1s | 24.599490 | .07653605 |
3 | 2s | 11.214844 | .02019607 |
4 | 3s | 13.636714 | -.02040800 |
5 | 4s | 16.398944 | .00883761 |
6 | 5s | 44.105751 | .00073545 |
7 | 4s | 106.498385 | -.00002324 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085837 | < R2 > | .009884 | < 1/R > | 17.587961 | < 1/R**2 > | 623.036711 |
Total Energy= -478.74012289 a.u.
Kinetic Energy= 478.71714412 a.u.
Potential Energy= -957.45726702 a.u.
Virial Ratio = -2.00004800