(1s 2 2s 2 2p 5 4s 1 ) 3 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
1 | 1s | 14.939930 | .09525044 |
2 | 2s | 3.446950 | -1.32665757 |
3 | 3s | 3.399293 | 2.77555200 |
4 | 4s | 2.527395 | -1.86150808 |
5 | 5s | 4.921958 | -.22041791 |
6 | 4s | 14.850894 | -.02267247 |
7 | 5s | 29.623667 | -.00188804 |
8 | 4s | 41.461964 | -.00033102 |
9 | 5s | 1.841785 | .00243851 |
10 | 3s | 32.984951 | -.00044648 |
ORB.ENERGY,a.u. | -3.207200 |
NORM | 1.000000 | < R > | 2.121673 | < R2 > | 5.056119 | < 1/R > | .671032 | < 1/R**2 > | 3.629144 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.378937 | 1.17358195 |
2 | 3p | 7.506066 | -.23634974 |
3 | 2p | 14.023633 | .06137537 |
4 | 4p | 17.072997 | .00936113 |
5 | 5p | 3.470540 | -.00029880 |
6 | 4p | 4.383702 | .00081195 |
7 | 4p | 71.142868 | .00002140 |
ORB.ENERGY,a.u. | -17.004000 |
NORM | 1.000000 | < R > | .359150 | < R2 > | .158222 | < 1/R > | 3.574053 | < 1/R**2 > | 17.583316 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.729911 | .34828645 |
2 | 2s | 6.525573 | -.78549126 |
3 | 3s | 10.298873 | -.22982482 |
4 | 4s | 8.203905 | -.06542880 |
5 | 5s | 21.995077 | -.00641351 |
6 | 5s | 2.952375 | .00699168 |
7 | 4s | 2.718863 | -.00624705 |
8 | 3s | 48.365073 | -.00008151 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .400862 | < R2 > | .189282 | < 1/R > | 3.656231 | < 1/R**2 > | 54.713610 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.191273 | .93030583 |
2 | 1s | 25.102634 | .06520399 |
3 | 2s | 10.136135 | .02340563 |
4 | 3s | 12.487108 | -.02394778 |
5 | 4s | 15.867086 | .01083118 |
6 | 5s | 42.657955 | .00063548 |
7 | 4s | 95.929862 | -.00003763 |
8 | 5s | 2.046478 | -.00008706 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085956 | < R2 > | .009918 | < 1/R > | 17.572443 | < 1/R**2 > | 622.183072 |
Total Energy= -493.67331232 a.u.
Kinetic Energy= 493.67849670 a.u.
Potential Energy= -987.35180903 a.u.
Virial Ratio = -1.99998950